A0A096N7H5_PAPAN Loading...

SH3 and cysteine-rich domain-containing protein 3

Required for normal excitation-contraction coupling in skeletal muscle and for normal muscle contraction in response to membrane depolarization. Required for normal Ca(2+) release from the sarcplasmic reticulum, which ultimately leads to muscle contraction. Probably functions via its effects on muscle calcium channels. Increases CACNA1S channel activity, in addition to its role in enhancing the expression of CACNA1S at the cell membrane. Has a redundant role in promoting the expression of the calcium channel CACNA1S at the cell membrane. Slows down the inactivation rate of the calcium channel CACNA1C.

AlphaFold DB , UniProt , Accession A0A096N7H5, Species PAPAN (Papio anubis, Olive baboon), Gene STAC3, Length 364 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.8Very low35.1Very low235 Ų235164.6 Ų164.6100%1.15885%0.85SS**  0108.90-63.8174.8178.600107.4
2T37.8Very low34.7Very low119 Ų119161.5 Ų161.573%0.7385%0.848SS**  cis-146.9125.6-5.941.60000105.4
3E35.7Very low34.3Very low174 Ų174155.8 Ų155.881%0.81383%0.83SS**  60.2128.678.8-68.8-175.1134.400114.2
4K36.9Very low34Very low187 Ų187158.2 Ų158.281%0.81383%0.83SS**  trans111.7138.3175.1-68.4-159.1167.3-152.20116.3
5E37.7Very low34.2Very low159 Ų159155.9 Ų155.974%0.74383%0.828SS**  cis-161.5145.5-29.3-127.1171143.400106.6
6V35Very low34.1Very low142 Ų142152.3 Ų152.386%0.86183%0.827SS**  trans-106.3127.7179.9177.90000109.2
7L34.2Very low34Very low176 Ų176154.6 Ų154.692%0.92183%0.831SS**  trans-89.5124.9175.8-85.2164.6000111
8E31.9Very low34.1Very low182 Ų182152.5 Ų152.585%0.8583%0.825SS**  trans-107.1144.3177.5-172.7177.615500110
9S33.2Very low34.4Very low111 Ų111157.8 Ų157.878%0.77683%0.832SS**  trans-116.1137.1-179.9-68.70000111.3
10P35.9Very low34.7Very low126 Ų126157.4 Ų157.482%0.81883%0.825SS**PPolyproline II helixtrans-84.6162.1-163.733.1-37.6000115.6
11K31.5Very low35.2Very low200 Ų200152.9 Ų152.987%0.8781%0.806SS**PPolyproline II helixtrans-87.9150.6173.6-55.7166.1-176.7164.60111.9
12P31.3Very low35.7Very low127 Ų127145 Ų14583%0.82579%0.786SS**PPolyproline II helixtrans-93.9169.3143.635.1-29.3000111.2
13S29.6Very low36.3Very low88 Ų88146.2 Ų146.262%0.61579%0.787SS**  trans-146.4169.4-169.7560000114.2
14F29.3Very low36.9Very low189 Ų189144.4 Ų144.483%0.82978%0.778SS**  trans81.7157.8174.3-47.7-65.1000117.2
15P36.7Very low37.5Very low123 Ų123145.8 Ų145.880%0.79978%0.779SS**  -126.7-177.3-51.737.1-24.3000111.8
16A33.4Very low37.8Very low98 Ų98144.8 Ų144.881%0.8178%0.778SS**  trans-97.8140.9-178.100000113
17E32.4Very low38.6Very low193 Ų193146.1 Ų146.190%0.90277%0.772SS**  trans-125.9150.6167.6-79.7-145.795.400113.7
18T35.9Very low39.2Very low116 Ų116145.5 Ų145.571%0.71276%0.764SS**  trans-86.4122.1-162-54.10000112.2Q20T18-Q20 HydrophobicContact CG2-CG 3.82Å; T18-Q20 PolarHBondContact O-N 2.63Å
19R38.8Very low39.9Very low254 Ų254144.3 Ų144.396%0.95876%0.763SS**  trans-72.182.4170.5-78.8-173.6169.2-179.1-2.9112.1
20Q40.6Very low40.4Very low148 Ų148146.7 Ų146.769%0.69277%0.766SS**  trans-81.7132.4173.7-67.9-162.7-2.100113.4T18T18-Q20 HydrophobicContact CG2-CG 3.82Å; T18-Q20 PolarHBondContact O-N 2.63Å
21S45.1Very low41Very low63 Ų63151.7 Ų151.744%0.44177%0.768SS.*  trans-1.8113.2167.7630000119.8L23S21-L23 PolarHBondContact O-N 3.18Å
22G46.1Very low41.6Very low70 Ų70152.2 Ų152.272%0.72277%0.771SS**THydrogen-bonded Turntrans-62.7-7.4162.700000115.2Q24G22-Q24 PolarHBondContact O-N 2.92Å
23L51.1Low41.6Very low145 Ų145149.4 Ų149.476%0.75977%0.765SS**THydrogen-bonded Turntrans-72.1-7.5-180-66.6174.2000114.8S21S21-L23 PolarHBondContact O-N 3.18Å
24Q48.7Very low41.7Very low135 Ų135151 Ų15163%0.63178%0.776SS**THydrogen-bonded Turntrans-84.2-37.9175.9-68.1-175.2-3.700112.8G22 L26 K27G22-Q24 PolarHBondContact O-N 2.92Å; Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.06Å; Q24-K27 PolarHBondContact O-N 2.98Å
25R48.7Very low41.8Very low217 Ų217148.7 Ų148.782%0.81978%0.777SS**G310 helixtrans-58.4-35.8179.6-87.7-175.6165.9-179.1-3.5113.1K27 Q28R25-K27 PolarHBondContact O-N 2.98Å; R25-Q28 PolarHBondContact O-N 3.47Å
26L44.7Very low41.5Very low138 Ų138145.7 Ų145.772%0.72377%0.769SS**G310 helixtrans-69.6-14.1-178.1-126.880.2000114.8Q24Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.06Å
27K50.4Low41.3Very low170 Ų170147.8 Ų147.874%0.73977%0.772SS**G310 helixtrans-88.9-11.3-179.3-70.9-174.8176.9-179.30114.1Q24 R25Q24-K27 PolarHBondContact O-N 2.98Å; R25-K27 PolarHBondContact O-N 2.98Å
28Q48.4Very low41.3Very low163 Ų163146.5 Ų146.576%0.76276%0.763SS**THydrogen-bonded Turntrans-87.8-25.2-174.5-158.7162.75.200113.1R25 L30R25-Q28 PolarHBondContact O-N 3.47Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.9Å
29L45.9Very low41.2Very low157 Ų157148.4 Ų148.482%0.82276%0.764SS**THydrogen-bonded Turntrans-81.2-6.5-178.5-63.8174.1000114.7
30L44.7Very low41.2Very low161 Ų161144.1 Ų144.184%0.84376%0.757SS**THydrogen-bonded Turntrans-110.416.3-176.4-86.5161.3000113.7Q28Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.9Å
31R48.3Very low41.1Very low230 Ų230146.2 Ų146.287%0.86877%0.767SS**SBendtrans-135.814.1-171.3-140.2-174.2-170.8-159.11.7116.7
32K43.3Very low40.9Very low212 Ų212150 Ų15092%0.92278%0.782SS**  trans-12975.5178.3-155.6177.3-174.9-173.90112.2
33G30.8Very low41.1Very low68 Ų68152.1 Ų152.170%0.70178%0.783SS**  trans-147.4144.8169.200000109.9
34S32.1Very low40.8Very low121 Ų121151.2 Ų151.285%0.84679%0.786SS**  trans63.9114.1-161.4-162.80000112.2
35T31.2Very low40.7Very low140 Ų140153.5 Ų153.586%0.85980%0.796SS**  -137.3172.250.9460000112.6
36G30.5Very low40.4Very low61 Ų61149.2 Ų149.263%0.62980%0.796SS**  trans-140.5-154.7178.600000114.2
37T30.4Very low39.9Very low141 Ų141151.5 Ų151.587%0.86580%0.803SS**  trans89145.6-177.372.50000117
38K31.3Very low39.8Very low166 Ų166148.4 Ų148.472%0.72281%0.81SS**  trans65.9140.2176.4-68.7-171.4165.8-76.90116.5
39E33Very low39.7Very low156 Ų156147.8 Ų147.873%0.72981%0.812SS**  cis-155.7169.2-19.5-133.9145.6-15100109.2
40M40.4Very low40Very low164 Ų164144.7 Ų144.781%0.80882%0.817SS**  trans-111.9112.2-178.2-177.5176.3-178.700110.4L42M40-L42 HydrophobicContact CE-CD2 4.24Å
41E37.8Very low40.1Very low192 Ų192145.5 Ų145.590%0.89782%0.817SS**  trans-108.9145.2165.4-73.4-167.398.500110.4
42L41.6Very low39.8Very low143 Ų143139.4 Ų139.475%0.74982%0.816SS**PPolyproline II helixtrans-102.4143.8177.7-75.1159.2000109.4M40M40-L42 HydrophobicContact CE-CD2 4.24Å
43P48.9Very low40.1Very low115 Ų115134.9 Ų134.975%0.74781%0.805SS**PPolyproline II helixtrans-68.4146.2174.729.8-34.6000111.2
44P46.1Very low41.1Very low126 Ų126133 Ų13382%0.81879%0.786SS**PPolyproline II helixtrans-74.5147.3179.630.5-35.1000112.6
45E45.7Very low42.3Very low182 Ų182133.1 Ų133.185%0.8580%0.795SS**PPolyproline II helixtrans-72.1142.2175.2-65.2-176117.300112.4
46P41.8Very low43.6Very low127 Ų127130.2 Ų130.283%0.82579%0.793SS**PPolyproline II helixtrans-79.4140.8174.732.4-33.9000112
47Q36.2Very low44.7Very low186 Ų186130.7 Ų130.787%0.86980%0.798SS**  trans-116.3160.4168.7-70.7-161.1-13.200112.4N49Q47-N49 PolarHBondContact O-N 2.99Å
48A48Very low45.3Very low106 Ų106126.2 Ų126.288%0.87678%0.779SS**SBendtrans-102.387.8-145.500000115.6
49N44.7Very low46.1Very low150 Ų150123.3 Ų123.380%0.80278%0.777SS**  trans-158.8102.1152.752.1-34.9000109.7Q47 E51Q47-N49 PolarHBondContact O-N 2.99Å; N49-E51 PolarHBondContact O-N 2.82Å
50G53.4Low46.9Very low91 Ų91121 Ų12194%0.93877%0.769SS**  trans-78.769.6-16200000116.6
51E46.9Very low47.3Very low178 Ų178122.6 Ų122.683%0.83277%0.767SS**  trans-141.293164.2-117.4179.711700111.4N49 V53N49-E51 PolarHBondContact O-N 2.82Å; E51-V53 PolarHBondContact O-N 2.78Å
52A40.9Very low47.6Very low102 Ų102122.2 Ų122.284%0.84376%0.759SS**  trans-91.894175.300000110.3G54A52-G54 PolarHBondContact O-N 3.42Å
53V50.6Low48.2Very low117 Ų117122.3 Ų122.371%0.70976%0.759SS**  trans-76113.8179.3-177.80000110.4E51E51-V53 PolarHBondContact O-N 2.78Å
54G51.6Low48.3Very low29 Ų29126.7 Ų126.730%0.29976%0.762SS.*  trans-64.9148.9171.300000112.1A52 G56 G57A52-G54 PolarHBondContact O-N 3.42Å; G54-G56 PolarHBondContact O-N 2.99Å; G54-G57 PolarHBondContact O-N 2.6Å; G54-G57 VanDerWaalsContact O-N 3.1Å
55A57.8Low48.7Very low124 Ų124128.9 Ų128.9100%1.02576%0.761SS**THydrogen-bonded Turntrans-64.911.8-169.200000116.9
56G58Low48.9Very low79 Ų79129 Ų12981%0.81476%0.762SS**THydrogen-bonded Turntrans-122.41.5175.800000115.2G54 G58G54-G56 PolarHBondContact O-N 2.99Å; G56-G58 PolarHBondContact O-N 3.13Å
57G53Low49.1Very low71 Ų71132 Ų13273%0.73276%0.764SS**SBendtrans69.122.9171.400000116.5G54G54-G57 PolarHBondContact O-N 2.6Å; G54-G57 VanDerWaalsContact O-N 3.1Å
58G44.3Very low49.7Very low47 Ų47131.8 Ų131.849%0.48576%0.764SS.*SBendtrans-123.7155.9173.100000111.9G56G56-G58 PolarHBondContact O-N 3.13Å
59P48.2Very low49.7Very low104 Ų104135.6 Ų135.668%0.67576%0.763SS**  trans-67.313817928.7-34.6000111.4Y61P59-Y61 HydrophobicContact CG-CE2 4.27Å
60I48.1Very low50.2Low108 Ų108137.3 Ų137.355%0.55477%0.767SS**  trans-82.8118.1174.2-61.5173.3000108.1Y62I60-Y62 HydrophobicContact CG2-CE2 4.39Å
61Y49.6Very low50.1Low198 Ų198142 Ų14278%0.77676%0.764SS**  trans-84.8113.7169.2-68.9-86000109.1P59 I63P59-Y61 HydrophobicContact CG-CE2 4.27Å; Y61-I63 PolarHBondContact O-N 2.99Å
62Y44.2Very low50.6Low183 Ų183142.9 Ų142.972%0.71877%0.768SS**  trans-74.5110.6165.5-65.5-85.5000108.2I60 Y64I60-Y62 HydrophobicContact CG2-CE2 4.39Å; Y62-Y64 PolarHBondContact O-N 3.1Å
63I53.3Low51.4Low145 Ų145147 Ų14774%0.74477%0.77SS**  trans-76.5116.1163.2-60.9173.5000105.4Y61 E65Y61-I63 PolarHBondContact O-N 2.99Å; I63-E65 HydrophobicContact CG2-CG 4.23Å; I63-E65 PolarHBondContact O-N 3.07Å
64Y51.3Low51.7Low207 Ų207150.1 Ų150.181%0.81278%0.777SS**  trans-76.5101.3164-70.3-93.2000106.4Y62 E66Y62-Y64 PolarHBondContact O-N 3.1Å; Y64-E66 PolarHBondContact O-N 3.25Å
65E54.5Low52.1Low172 Ų172157.6 Ų157.680%0.80480%0.804SS**  trans-70.1116.8159.7-66.3-179.8164.300105.6I63 E67I63-E65 HydrophobicContact CG2-CG 4.23Å; I63-E65 PolarHBondContact O-N 3.07Å; E65-E67 PolarHBondContact O-N 3.15Å; E65-E67 VanDerWaalsContact O-N 3.15Å
66E50.2Low52.4Low186 Ų186159.9 Ų159.987%0.86979%0.794SS**  trans-69.5109174.5-70.6178.5132.300107.3Y64 E68Y64-E66 PolarHBondContact O-N 3.25Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 2.88Å
67E47.2Very low52.5Low188 Ų188161.8 Ų161.888%0.87979%0.791SS**  trans-65.894.9168.7-67.6-178.5145.700107.5E65 E69E65-E67 PolarHBondContact O-N 3.15Å; E65-E67 VanDerWaalsContact O-N 3.15Å; E67-E69 PolarHBondContact O-N 2.94Å
68E48.9Very low52.9Low182 Ų182166.1 Ų166.185%0.8580%0.797SS**  trans-59.6108.7163.9-78.4-172.3124.100107.4E66 E70E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 2.88Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.07Å
69E47.9Very low53.7Low187 Ų187169.6 Ų169.687%0.87481%0.811SS**  trans-63.495.7169-68-175.6132.600107.9E67 E71E67-E69 PolarHBondContact O-N 2.94Å; E69-E71 PolarHBondContact O-N 2.92Å
70E53.4Low54.4Low186 Ų186171 Ų17187%0.86981%0.809SS**  trans-60.199.5167.2-72.8-169.2148.200108E68 E72E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.07Å; E70-E72 PolarHBondContact O-N 2.99Å
71E53.2Low54.8Low190 Ų190171.1 Ų171.189%0.88882%0.816SS**  trans-58.2107.6174.9-68.3-172.8134.400109.3E69 E73E69-E71 PolarHBondContact O-N 2.92Å; E71-E73 PolarHBondContact O-N 3.48Å
72E56Low55.1Low195 Ų195167.4 Ų167.491%0.91182%0.816SS**  trans-62.3101.5171.6-76.5-165.4134.300109.2E70 E74E70-E72 PolarHBondContact O-N 2.99Å; E72-E74 PolarHBondContact O-N 2.96Å
73E57.8Low55.5Low190 Ų190165.5 Ų165.589%0.88881%0.812SS**  trans-60.8106.4177.7-171175.7-158.700110E71 E75E71-E73 PolarHBondContact O-N 3.48Å; E73-E75 PolarHBondContact O-N 2.94Å
74E58.2Low55.7Low182 Ų182166.6 Ų166.685%0.8582%0.818SS**  trans-64.7100-176-171.4179.8-177.100110.7E72 E76E72-E74 PolarHBondContact O-N 2.96Å; E74-E76 PolarHBondContact O-N 2.81Å
75E59.3Low55.9Low185 Ų185162.6 Ų162.686%0.86482%0.815SS**  trans-58.5108.6-177.7-171.2179.8-153.100110.9E73E73-E75 PolarHBondContact O-N 2.94Å
76E64.4Low56.3Low173 Ų173155.9 Ų155.981%0.80879%0.785SS**  trans-52.6133-172.1-77.4-162.2149.600112.4E74 L78E74-E76 PolarHBondContact O-N 2.81Å; E76-L78 PolarHBondContact O-N 2.83Å
77P60.2Low57.1Low118 Ų118152.5 Ų152.577%0.76677%0.772SS**  trans-64.5113.7-178.225.6-34.1000111.1
78L60.1Low58.5Low162 Ų162149.2 Ų149.285%0.84876%0.755SS**  trans-42.4126.2-178.1-68.9176.3000112.2E76 E80E76-L78 PolarHBondContact O-N 2.83Å; L78-E80 PolarHBondContact O-N 3.08Å
79P61.4Low60Low120 Ų120143.9 Ų143.978%0.77974%0.736SS**PPolyproline II helixtrans-61.6128.7-169.322.3-33.6000111.8
80E63.6Low61.7Low135 Ų135135.7 Ų135.763%0.63170%0.698SS**PPolyproline II helixtrans-52.6134.3177.3-74.7-167.5122.400110.8L78 K83L78-E80 PolarHBondContact O-N 3.08Å; E80-K83 WeakPolarHBondContact OE1-CE 3.41Å; E80-K83 IonicContact OE1-NZ 2.75Å; E80-K83 PolarHBondContact OE1-NZ 3.06Å; E80-K83 WeakPolarHBondContact OE2-CE 3.43Å; E80-K83 IonicContact OE2-NZ 2.75Å; E80-K83 PolarHBondContact OE2-NZ 3.35Å
81P55.6Low63.3Low109 Ų109133.3 Ų133.371%0.70869%0.685SS**PPolyproline II helixtrans-59.5131.9177.624.7-33.6000109.6K83P81-K83 PolarHBondContact O-N 3.14Å
82P57.1Low65.1Low120 Ų120125.9 Ų125.978%0.77965%0.65SS**  trans-59.5108.5-167.620.7-32.9000111.3L84P82-L84 PolarHBondContact O-N 2.88Å; P82-L84 VanDerWaalsContact O-N 3.1Å
83K52Low66.7Low143 Ų143122.8 Ų122.862%0.62263%0.633SS**  trans-56.4115179.9-70.8160.6179.8162.20108.3E80 P81 V85E80-K83 WeakPolarHBondContact OE1-CE 3.41Å; E80-K83 IonicContact OE1-NZ 2.75Å; E80-K83 PolarHBondContact OE1-NZ 3.06Å; E80-K83 WeakPolarHBondContact OE2-CE 3.43Å; E80-K83 IonicContact OE2-NZ 2.75Å; E80-K83 PolarHBondContact OE2-NZ 3.35Å; P81-K83 PolarHBondContact O-N 3.14Å; K83-V85 WeakPolarHBondContact O-CG2 3.33Å; K83-V85 PolarHBondContact O-N 3.29Å
84L56.8Low68.2Low168 Ų168118.3 Ų118.388%0.8862%0.616SS**  trans-63.891.3-174.2-76.4171.5000111.4P82 N86P82-L84 PolarHBondContact O-N 2.88Å; P82-L84 VanDerWaalsContact O-N 3.1Å; L84-N86 PolarHBondContact O-N 2.99Å
85V55.6Low69.5Low124 Ų124112.5 Ų112.575%0.75259%0.588SS**  trans-67.5119.4178.8-173.90000109.4K83 D87K83-V85 WeakPolarHBondContact O-CG2 3.33Å; K83-V85 PolarHBondContact O-N 3.29Å; V85-D87 PolarHBondContact O-N 2.64Å
86N63.7Low70.7Confident30 Ų30109.3 Ų109.316%0.1657%0.572CS.*  trans-77.899.8173.9-179.7-2.5000109.8L84 K88 P89 E136 Q138L84-N86 PolarHBondContact O-N 2.99Å; N86-K88 PolarHBondContact O-N 2.74Å; N86-K88 PolarHBondContact OD1-N 2.83Å; N86-K88 PolarHBondContact OD1-O 2.73Å; N86-P89 WeakPolarHBondContact O-CD 3.43Å; N86-E136 PolarHBondContact ND2-O 2.93Å; N86-Q138 VanDerWaalsContact ND2-C 3.34Å; N86-Q138 PolarHBondContact ND2-O 2.93Å
87D67.4Low71.6Confident115 Ų115101.2 Ų101.262%0.61553%0.534SS*.SBendtrans-45.5-30.7179.5-57.1-27.1000115V85 R139V85-D87 PolarHBondContact O-N 2.64Å; D87-R139 IonicContact OD2-CZ 2.69Å; D87-R139 IonicContact OD2-NH1 3.21Å; D87-R139 PolarHBondContact OD2-NH1 3.19Å
88K75.9Confident72.5Confident119 Ų119104.5 Ų104.552%0.51754%0.536SS..SBendtrans-14076-171.9-61.1-169.1-177.7-171.90109.8N86 R139 C140N86-K88 PolarHBondContact O-N 2.74Å; N86-K88 PolarHBondContact OD1-N 2.83Å; N86-K88 PolarHBondContact OD1-O 2.73Å; K88-R139 HydrophobicContact CB-CG 4.25Å; K88-C140 WeakPolarHBondContact O-CA 3.24Å; K88-C140 WeakPolarHBondContact O-CB 3.39Å; K88-C140 PolarHBondContact O-N 2.63Å
89P81Confident73.5Confident70 Ų70104.7 Ų104.746%0.45553%0.53SS..  trans-69.8153.6-176.129.6-34000112.2N86 K91N86-P89 WeakPolarHBondContact O-CD 3.43Å; P89-K91 PolarHBondContact O-N 3.26Å
90H83.6Confident74.4Confident16 Ų16103.1 Ų103.17%0.07452%0.52CS..  trans-72.7109177-85.1-111.3000111.3F92 C123 V135 Q138 C140H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 HydrophobicContact CB-CD2 3.77Å; H90-F92 HydrophobicContact CB-CE2 3.28Å; H90-F92 HydrophobicContact CB-CZ 3.73Å; H90-F92 AromaticContact ND1-CZ 3.84Å; H90-F92 WeakPolarHBondContact O-CD2 3.13Å; H90-F92 PolarHBondContact O-N 2.84Å; H90-C123 PolarHBondContact CE1-SG 2.95Å; H90-C123 PolarHBondContact ND1-SG 2.85Å; H90-C123 VanDerWaalsContact ND1-SG 3.41Å; H90-V135 HydrophobicContact CB-CG1 4.4Å; H90-Q138 PolarHBondContact CD2-O 3.11Å; H90-Q138 VanDerWaalsContact CD2-O 3.31Å; H90-C140 HydrophobicContact CB-CB 4.46Å; H90-C140 VanDerWaalsContact CD2-CB 3.43Å; H90-C140 WeakPolarHBondContact CD2-CB 3.44Å; H90-C140 WeakPolarHBondContact NE2-CA 3.35Å
91K86.5Confident75.4Confident136 Ų136101.2 Ų101.259%0.59151%0.51SS*.  trans-74.882.3172.7-61.9-167178.4-171.60111P89 C120 K121P89-K91 PolarHBondContact O-N 3.26Å; K91-C120 WeakPolarHBondContact O-CA 3.28Å; K91-K121 PolarHBondContact O-N 3.35Å
92F90.3Very high76.8Confident33 Ų33101.8 Ų101.815%0.14550%0.501CS..EExtended strand (participates in β ladder)trans-69.3155.7174-71-71.8000112.6H90 L118 R119 C120 I127 Q132 V135H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 HydrophobicContact CB-CD2 3.77Å; H90-F92 HydrophobicContact CB-CE2 3.28Å; H90-F92 HydrophobicContact CB-CZ 3.73Å; H90-F92 AromaticContact ND1-CZ 3.84Å; H90-F92 WeakPolarHBondContact O-CD2 3.13Å; H90-F92 PolarHBondContact O-N 2.84Å; F92-L118 HydrophobicContact CB-CB 4.24Å; F92-L118 HydrophobicContact CD1-CB 3.82Å; F92-L118 HydrophobicContact CG-CB 4.24Å; F92-R119 CarbonylContact C-O 3.53Å; F92-R119 WeakPolarHBondContact CA-O 3.48Å; F92-C120 HydrophobicContact CD1-CB 3.87Å; F92-C120 HydrophobicContact CE1-CB 3.74Å; F92-C120 HydrophobicContact CZ-CB 4.38Å; F92-I127 HydrophobicContact CD1-CD1 4.18Å; F92-I127 HydrophobicContact CD1-CG1 4.31Å; F92-I127 HydrophobicContact CE1-CD1 3.52Å; F92-I127 HydrophobicContact CE1-CG1 3.76Å; F92-I127 HydrophobicContact CE2-CD1 3.91Å; F92-I127 HydrophobicContact CZ-CD1 3.37Å; F92-I127 HydrophobicContact CZ-CG1 4.14Å; F92-Q132 HydrophobicContact CD2-CG 4.28Å; F92-V135 HydrophobicContact CE2-CB 4.2Å; F92-V135 HydrophobicContact CE2-CG1 4.15Å; F92-V135 HydrophobicContact CZ-CB 4.15Å; F92-V135 HydrophobicContact CZ-CG1 3.89Å
93K89.9Confident78.3Confident130 Ų13096.2 Ų96.257%0.56547%0.465SS*.EExtended strand (participates in β ladder)trans-151.6145.8161.2-178.5173179.6176.10108.8R119K93-R119 PolarHBondContact N-O 2.79Å; K93-R119 PolarHBondContact O-N 2.87Å
94D89.9Confident79.8Confident97 Ų9792 Ų9252%0.51945%0.449SS..EExtended strand (participates in β ladder)trans-46.4135.7171.4-46.3-14000112.5F116 L118D94-F116 HydrophobicContact CB-CE2 3.74Å; D94-F116 HydrophobicContact CB-CZ 3.72Å; D94-L118 WeakPolarHBondContact OD1-CD2 3.25Å
95H84.6Confident81.1Confident60 Ų6085.6 Ų85.628%0.27842%0.417SS..  trans-150112.7-178.1179.1-73.1000111.8F97 G117 R119H95-F97 HydrophobicContact CB-CZ 4.28Å; H95-F97 AromaticContact CE1-CD1 3.84Å; H95-F97 AromaticContact CE1-CE1 3.98Å; H95-F97 AromaticContact ND1-CD1 3.44Å; H95-F97 WeakPolarHBondContact ND1-CD1 2.85Å; H95-F97 AromaticContact ND1-CE1 3.32Å; H95-F97 VanDerWaalsContact ND1-CE1 3.32Å; H95-F97 WeakPolarHBondContact ND1-CE1 3.5Å; H95-F97 AromaticContact ND1-CG 3.9Å; H95-F97 AromaticContact ND1-CZ 3.66Å; H95-F97 WeakPolarHBondContact O-CD2 3.42Å; H95-F97 WeakPolarHBondContact O-CE2 3.3Å; H95-F97 PolarHBondContact O-N 2.87Å; H95-G117 PolarHBondContact N-O 2.97Å; H95-R119 HydrophobicContact CB-CB 3.9Å; H95-R119 PolarHBondContact CD2-NH1 3.21Å; H95-R119 PolarHBondContact CE1-NH2 2.8Å; H95-R119 PolarHBondContact NE2-NH1 2.97Å
96F86.1Confident82.5Confident117 Ų11781.8 Ų81.851%0.51340%0.395SS..  trans-69.6122.7173.9-177.6-90.9000112.5K98 N114 K115F96-K98 HydrophobicContact CD1-CG 4.31Å; F96-K98 HydrophobicContact CE1-CG 4.4Å; F96-K98 PolarHBondContact O-N 3.38Å; F96-N114 VanDerWaalsContact CD2-O 3.23Å; F96-N114 WeakPolarHBondContact CD2-O 3.31Å; F96-N114 WeakPolarHBondContact CE2-O 3.46Å; F96-K115 HydrophobicContact CE2-CB 4.14Å; F96-K115 HydrophobicContact CZ-CB 4.36Å; F96-K115 HydrophobicContact CZ-CD 4.36Å
97F81.4Confident83.5Confident4 Ų484 Ų842%0.01842%0.418CS..  trans-91.793.9-174.1-66.7-76.5000112.9H95 K99 K101 I110 K115 N126H95-F97 HydrophobicContact CB-CZ 4.28Å; H95-F97 AromaticContact CE1-CD1 3.84Å; H95-F97 AromaticContact CE1-CE1 3.98Å; H95-F97 AromaticContact ND1-CD1 3.44Å; H95-F97 WeakPolarHBondContact ND1-CD1 2.85Å; H95-F97 AromaticContact ND1-CE1 3.32Å; H95-F97 VanDerWaalsContact ND1-CE1 3.32Å; H95-F97 WeakPolarHBondContact ND1-CE1 3.5Å; H95-F97 AromaticContact ND1-CG 3.9Å; H95-F97 AromaticContact ND1-CZ 3.66Å; H95-F97 WeakPolarHBondContact O-CD2 3.42Å; H95-F97 WeakPolarHBondContact O-CE2 3.3Å; H95-F97 PolarHBondContact O-N 2.87Å; F97-K99 PolarHBondContact O-N 2.92Å; F97-K99 VanDerWaalsContact O-N 3.17Å; F97-K101 HydrophobicContact CD1-CB 4.11Å; F97-K101 HydrophobicContact CD1-CG 3.62Å; F97-K101 HydrophobicContact CE1-CB 4.39Å; F97-K101 HydrophobicContact CE1-CG 4.05Å; F97-K101 HydrophobicContact CG-CG 4.37Å; F97-I110 HydrophobicContact CD2-CG2 3.82Å; F97-I110 HydrophobicContact CE2-CD1 4.06Å; F97-I110 HydrophobicContact CE2-CG2 4.02Å; F97-I110 HydrophobicContact CZ-CD1 4.29Å; F97-K115 WeakPolarHBondContact CD2-O 3.23Å; F97-K115 PolarHBondContact N-O 2.88Å; F97-N126 HydrophobicContact CE1-CB 3.98Å; F97-N126 WeakPolarHBondContact CE1-OD1 3.45Å; F97-N126 HydrophobicContact CZ-CB 3.83Å
98K80.9Confident84.3Confident187 Ų18787.6 Ų87.681%0.81342%0.423SS*.SBendtrans-54.3-33.4176.3-65.8-167.7178.2-171.20114.2F96F96-K98 HydrophobicContact CD1-CG 4.31Å; F96-K98 HydrophobicContact CE1-CG 4.4Å; F96-K98 PolarHBondContact O-N 3.38Å
99K79.7Confident84.8Confident166 Ų16685.6 Ų85.672%0.72242%0.416SS*.SBendtrans-117.9145.7171.3-67.6-171.2176.7-171.90109F97F97-K99 PolarHBondContact O-N 2.92Å; F97-K99 VanDerWaalsContact O-N 3.17Å
100P80.9Confident84.9Confident86 Ų8682.3 Ų82.356%0.55840%0.395SS*.  trans-52.4140.6177-25.934.2000112.7M109P100-M109 HydrophobicContact CB-CG 4.24Å; P100-M109 HydrophobicContact CB-SD 3.73Å; P100-M109 HydrophobicContact CG-SD 4.5Å
101K83.8Confident84.4Confident96 Ų9685.6 Ų85.642%0.41742%0.416SS..  trans-130.4152.8173.5-72.1-60.3-175.5-177.60109.3F97 M109 I110F97-K101 HydrophobicContact CD1-CB 4.11Å; F97-K101 HydrophobicContact CD1-CG 3.62Å; F97-K101 HydrophobicContact CE1-CB 4.39Å; F97-K101 HydrophobicContact CE1-CG 4.05Å; F97-K101 HydrophobicContact CG-CG 4.37Å; K101-M109 CarbonylContact O-C 3.48Å; K101-M109 WeakPolarHBondContact O-CG 3.12Å; K101-I110 HydrophobicContact CB-CD1 4.32Å; K101-I110 PolarHBondContact O-N 3.33Å
102F86.3Confident83.1Confident121 Ų12185.2 Ų85.253%0.53142%0.42SS..BIsolated β-bridgetrans-92.1148.8168.3-63.3-83.2000109A107 R108 M109F102-A107 VanDerWaalsContact CD1-O 3.29Å; F102-A107 WeakPolarHBondContact CD1-O 3.48Å; F102-R108 WeakPolarHBondContact CA-O 3.35Å; F102-M109 HydrophobicContact CD1-CB 4.08Å; F102-M109 HydrophobicContact CD1-CG 4.31Å; F102-M109 HydrophobicContact CE1-CB 4.01Å; F102-M109 HydrophobicContact CE1-CE 3.9Å; F102-M109 HydrophobicContact CE1-CG 4.14Å; F102-M109 HydrophobicContact CZ-CE 3.83Å
103C87.4Confident81.6Confident2 Ų291.4 Ų91.41%0.01445%0.454CS..  trans-75.9123.9172.3173.70000109.1V105 C106 A107 R108 I110 N126 I127 H128 C131C103-V105 PolarHBondContact O-N 3.45Å; C103-V105 VanDerWaalsContact O-N 3.08Å; C103-C106 VanDerWaalsContact SG-SG 3.63Å; C103-A107 VanDerWaalsContact O-CA 3.28Å; C103-A107 WeakPolarHBondContact O-CA 3.49Å; C103-A107 PolarHBondContact O-N 3.3Å; C103-R108 PolarHBondContact N-O 3.36Å; C103-I110 HydrophobicContact CB-CD1 4.38Å; C103-I110 HydrophobicContact CB-CG1 4.09Å; C103-N126 WeakPolarHBondContact CA-O 3.34Å; C103-I127 VanDerWaalsContact SG-CA 3.59Å; C103-H128 WeakPolarHBondContact CB-CE1 3.5Å; C103-H128 WeakPolarHBondContact CB-ND1 3.4Å; C103-H128 PolarHBondContact SG-ND1 2.79Å; C103-C131 VanDerWaalsContact SG-SG 3.66Å
104D84.6Confident80.4Confident54 Ų5491.1 Ų91.129%0.28946%0.459SS..THydrogen-bonded Turntrans-67.4-8.9-176.3-66-54.1000113.4T125 N126 Y152D104-T125 HydrophobicContact CB-CG2 3.6Å; D104-T125 VanDerWaalsContact OD2-CA 3.31Å; D104-T125 WeakPolarHBondContact OD2-CA 3.34Å; D104-T125 VanDerWaalsContact OD2-CG2 3.29Å; D104-T125 WeakPolarHBondContact OD2-CG2 3.38Å; D104-N126 PolarHBondContact N-O 3.45Å; D104-N126 PolarHBondContact OD2-N 3.42Å; D104-Y152 HydrophobicContact CB-CD2 3.88Å; D104-Y152 HydrophobicContact CB-CE2 4.15Å; D104-Y152 WeakPolarHBondContact O-CB 3.44Å
105V84.3Confident79.5Confident35 Ų3591.5 Ų91.521%0.21246%0.456CS..THydrogen-bonded Turntrans-95.7-62.2176.6176.70000112C103 I127 C131 Y134 V135C103-V105 PolarHBondContact O-N 3.45Å; C103-V105 VanDerWaalsContact O-N 3.08Å; V105-I127 HydrophobicContact CG2-CG2 3.75Å; V105-C131 HydrophobicContact CB-CB 4.23Å; V105-C131 HydrophobicContact CG1-CB 4.42Å; V105-C131 HydrophobicContact CG2-CB 4.44Å; V105-Y134 HydrophobicContact CG1-CG 4.42Å; V105-V135 HydrophobicContact CG2-CG2 3.27Å
106C84.4Confident79.3Confident44 Ų4492.4 Ų92.430%0.29746%0.459SS..THydrogen-bonded Turntrans-95.12.2-171.772.70000114C103 R108 H128C103-C106 VanDerWaalsContact SG-SG 3.63Å; C106-R108 PolarHBondContact O-N 3.08Å; C106-H128 PolarHBondContact SG-CE1 2.9Å; C106-H128 PolarHBondContact SG-ND1 3.38Å; C106-H128 VanDerWaalsContact SG-ND1 3.37Å
107A84.5Confident79.4Confident77 Ų7786.9 Ų86.964%0.63644%0.435SS*.  trans57.6-4.7-175.900000116.7F102 C103F102-A107 VanDerWaalsContact CD1-O 3.29Å; F102-A107 WeakPolarHBondContact CD1-O 3.48Å; C103-A107 VanDerWaalsContact O-CA 3.28Å; C103-A107 WeakPolarHBondContact O-CA 3.49Å; C103-A107 PolarHBondContact O-N 3.3Å
108R83.6Confident79.8Confident189 Ų18987 Ų8771%0.71344%0.436SS*.  trans-76.5157.9176.8-61.7177.8-173.6142.41.5111.8F102 C103 C106F102-R108 WeakPolarHBondContact CA-O 3.35Å; C103-R108 PolarHBondContact N-O 3.36Å; C106-R108 PolarHBondContact O-N 3.08Å
109M86.2Confident80.1Confident78 Ų7881.6 Ų81.638%0.38441%0.41SS..BIsolated β-bridgetrans-72.5142.1-179-152.9-175.2-67.200111.9P100 K101 F102 V111 H128P100-M109 HydrophobicContact CB-CG 4.24Å; P100-M109 HydrophobicContact CB-SD 3.73Å; P100-M109 HydrophobicContact CG-SD 4.5Å; K101-M109 CarbonylContact O-C 3.48Å; K101-M109 WeakPolarHBondContact O-CG 3.12Å; F102-M109 HydrophobicContact CD1-CB 4.08Å; F102-M109 HydrophobicContact CD1-CG 4.31Å; F102-M109 HydrophobicContact CE1-CB 4.01Å; F102-M109 HydrophobicContact CE1-CE 3.9Å; F102-M109 HydrophobicContact CE1-CG 4.14Å; F102-M109 HydrophobicContact CZ-CE 3.83Å; M109-V111 HydrophobicContact CB-CG1 4.29Å; M109-V111 HydrophobicContact CB-CG2 4.14Å; M109-V111 HydrophobicContact CG-CG1 3.8Å; M109-V111 PolarHBondContact O-N 3.09Å; M109-V111 VanDerWaalsContact O-N 3.16Å; M109-V111 HydrophobicContact SD-CG1 3.57Å; M109-V111 VanDerWaalsContact SD-CG1 3.57Å; M109-H128 PolarHBondContact O-NE2 3.1Å
110I84.6Confident80.6Confident1 Ų173.7 Ų73.71%0.00538%0.376CS..  trans-85.282.6175.3-54176.6000108F97 K101 C103 F116 N126F97-I110 HydrophobicContact CD2-CG2 3.82Å; F97-I110 HydrophobicContact CE2-CD1 4.06Å; F97-I110 HydrophobicContact CE2-CG2 4.02Å; F97-I110 HydrophobicContact CZ-CD1 4.29Å; K101-I110 HydrophobicContact CB-CD1 4.32Å; K101-I110 PolarHBondContact O-N 3.33Å; C103-I110 HydrophobicContact CB-CD1 4.38Å; C103-I110 HydrophobicContact CB-CG1 4.09Å; I110-F116 WeakPolarHBondContact CG2-O 3.26Å; I110-N126 HydrophobicContact CD1-CB 4.14Å
111V72.8Confident80.8Confident84 Ų8476.4 Ų76.451%0.50938%0.379SS..  trans-13311.2-176.7-70.20000114.1M109M109-V111 HydrophobicContact CB-CG1 4.29Å; M109-V111 HydrophobicContact CB-CG2 4.14Å; M109-V111 HydrophobicContact CG-CG1 3.8Å; M109-V111 PolarHBondContact O-N 3.09Å; M109-V111 VanDerWaalsContact O-N 3.16Å; M109-V111 HydrophobicContact SD-CG1 3.57Å; M109-V111 VanDerWaalsContact SD-CG1 3.57Å
112L59.1Low80.8Confident129 Ų12975 Ų7568%0.67538%0.376SS*.SBendtrans-53.5146.3167.9-117.672000110.1N114 K115L112-N114 PolarHBondContact O-N 3.28Å; L112-K115 PolarHBondContact O-N 3.34Å
113N58.6Low80.7Confident163 Ų16369.6 Ų69.687%0.87235%0.353SS*.THydrogen-bonded Turntrans-40.7-5.7-152.3-67.911.4000121.3
114N64.8Low80.6Confident124 Ų12476.8 Ų76.866%0.66338%0.384SS*.THydrogen-bonded Turntrans-130.522174.2-84.3-52.2000114.3F96 L112 F116F96-N114 VanDerWaalsContact CD2-O 3.23Å; F96-N114 WeakPolarHBondContact CD2-O 3.31Å; F96-N114 WeakPolarHBondContact CE2-O 3.46Å; L112-N114 PolarHBondContact O-N 3.28Å; N114-F116 HydrophobicContact CB-CB 4.31Å; N114-F116 PolarHBondContact O-N 3.45Å
115K70.2Confident80.6Confident105 Ų10574.4 Ų74.446%0.45737%0.372SS..THydrogen-bonded Turntrans5033.2-174-60.5177.6-177.3171.60112.3F96 F97 L112F96-K115 HydrophobicContact CE2-CB 4.14Å; F96-K115 HydrophobicContact CZ-CB 4.36Å; F96-K115 HydrophobicContact CZ-CD 4.36Å; F97-K115 WeakPolarHBondContact CD2-O 3.23Å; F97-K115 PolarHBondContact N-O 2.88Å; L112-K115 PolarHBondContact O-N 3.34Å
116F81.3Confident80.8Confident79 Ų7973.7 Ų73.735%0.34637%0.367SS..  trans-97.7150.4-170.2-175.4-95.7000110.9D94 I110 N114D94-F116 HydrophobicContact CB-CE2 3.74Å; D94-F116 HydrophobicContact CB-CZ 3.72Å; I110-F116 WeakPolarHBondContact CG2-O 3.26Å; N114-F116 HydrophobicContact CB-CB 4.31Å; N114-F116 PolarHBondContact O-N 3.45Å
117G87.4Confident81.1Confident0 Ų071.6 Ų71.60%035%0.353CS..  trans171.4179.1176.600000111H95 I127H95-G117 PolarHBondContact N-O 2.97Å; G117-I127 WeakPolarHBondContact CA-O 3.39Å
118L89.6Confident81.3Confident8 Ų869.3 Ų69.34%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-99.1139.7-171.1-59.5168000110.8F92 D94 N126 I127 Q132F92-L118 HydrophobicContact CB-CB 4.24Å; F92-L118 HydrophobicContact CD1-CB 3.82Å; F92-L118 HydrophobicContact CG-CB 4.24Å; D94-L118 WeakPolarHBondContact OD1-CD2 3.25Å; L118-N126 WeakPolarHBondContact O-CA 2.99Å; L118-I127 HydrophobicContact CB-CG1 3.86Å; L118-I127 HydrophobicContact CD1-CD1 4.29Å; L118-I127 HydrophobicContact CD1-CG1 4.33Å; L118-I127 PolarHBondContact N-O 3.26Å; L118-I127 PolarHBondContact O-N 3.1Å; L118-Q132 HydrophobicContact CD1-CB 3.88Å; L118-Q132 HydrophobicContact CD1-CG 4.27Å
119R88.6Confident81.5Confident72 Ų7266.4 Ų66.427%0.27232%0.323SS..EExtended strand (participates in β ladder)trans-117.9131.9165.9177.6177-71.21479.6110.9F92 K93 H95 K121 T125 N126F92-R119 CarbonylContact C-O 3.53Å; F92-R119 WeakPolarHBondContact CA-O 3.48Å; K93-R119 PolarHBondContact N-O 2.79Å; K93-R119 PolarHBondContact O-N 2.87Å; H95-R119 HydrophobicContact CB-CB 3.9Å; H95-R119 PolarHBondContact CD2-NH1 3.21Å; H95-R119 PolarHBondContact CE1-NH2 2.8Å; H95-R119 PolarHBondContact NE2-NH1 2.97Å; R119-K121 PolarHBondContact O-N 2.75Å; R119-T125 VanDerWaalsContact CA-O 3.31Å; R119-T125 WeakPolarHBondContact CA-O 3.26Å; R119-N126 PolarHBondContact NE-OD1 3.29Å; R119-N126 PolarHBondContact NH2-OD1 3.17Å
120C88.9Confident81.5Confident0 Ų069.9 Ų69.90%034%0.338CS..EExtended strand (participates in β ladder)trans-74.6124.7170.6-173.60000111K91 F92 N122 C123 K124 T125K91-C120 WeakPolarHBondContact O-CA 3.28Å; F92-C120 HydrophobicContact CD1-CB 3.87Å; F92-C120 HydrophobicContact CE1-CB 3.74Å; F92-C120 HydrophobicContact CZ-CB 4.38Å; C120-N122 VanDerWaalsContact C-N 3.26Å; C120-N122 PolarHBondContact O-N 2.8Å; C120-C123 VanDerWaalsContact CB-SG 3.53Å; C120-K124 VanDerWaalsContact O-CA 3.29Å; C120-K124 WeakPolarHBondContact O-CA 3.35Å; C120-K124 PolarHBondContact O-N 2.94Å; C120-T125 PolarHBondContact N-O 2.84Å
121K86.7Confident81.7Confident143 Ų14370.2 Ų70.262%0.62234%0.341SS*.THydrogen-bonded Turntrans-57.5-39178.2-66.7177.2-1771740112.2K91 R119K91-K121 PolarHBondContact O-N 3.35Å; R119-K121 PolarHBondContact O-N 2.75Å
122N83.8Confident82.3Confident67 Ų6769.9 Ų69.936%0.35833%0.334SS..THydrogen-bonded Turntrans-77.7-46.1-171.1-60.8-7.8000112.8C120 G142 K143C120-N122 VanDerWaalsContact C-N 3.26Å; C120-N122 PolarHBondContact O-N 2.8Å; N122-G142 CarbonylContact O-C 3.57Å; N122-G142 VanDerWaalsContact O-C 3.25Å; N122-G142 WeakPolarHBondContact O-CA 2.98Å; N122-K143 PolarHBondContact O-N 2.85Å
123C83.2Confident83.4Confident8 Ų867 Ų675%0.05432%0.324CS..THydrogen-bonded Turntrans-116.2-0.8-170.960.40000115.1H90 C120 T125 C140 G142H90-C123 PolarHBondContact CE1-SG 2.95Å; H90-C123 PolarHBondContact ND1-SG 2.85Å; H90-C123 VanDerWaalsContact ND1-SG 3.41Å; C120-C123 VanDerWaalsContact CB-SG 3.53Å; C123-T125 PolarHBondContact O-N 2.93Å; C123-T125 PolarHBondContact SG-OG1 2.79Å; C123-C140 VanDerWaalsContact SG-SG 3.61Å; C123-G142 VanDerWaalsContact CA-O 3.24Å; C123-G142 WeakPolarHBondContact CA-O 3.36Å; C123-G142 WeakPolarHBondContact CB-O 3.4Å
124K85.1Confident84.5Confident152 Ų15266.1 Ų66.166%0.66131%0.309SS*.  trans61.47.4178.2-56.1-179.3179179.20116.2C120 N126C120-K124 VanDerWaalsContact O-CA 3.29Å; C120-K124 WeakPolarHBondContact O-CA 3.35Å; C120-K124 PolarHBondContact O-N 2.94Å; K124-N126 PolarHBondContact O-ND2 2.75Å; K124-N126 PolarHBondContact O-OD1 2.8Å
125T86.1Confident85.1Confident4 Ų460.2 Ų60.23%0.02528%0.278CS..  trans-51.3141.3166.9-48.50000110.8D104 R119 C120 C123 I127 Y152D104-T125 HydrophobicContact CB-CG2 3.6Å; D104-T125 VanDerWaalsContact OD2-CA 3.31Å; D104-T125 WeakPolarHBondContact OD2-CA 3.34Å; D104-T125 VanDerWaalsContact OD2-CG2 3.29Å; D104-T125 WeakPolarHBondContact OD2-CG2 3.38Å; R119-T125 VanDerWaalsContact CA-O 3.31Å; R119-T125 WeakPolarHBondContact CA-O 3.26Å; C120-T125 PolarHBondContact N-O 2.84Å; C123-T125 PolarHBondContact O-N 2.93Å; C123-T125 PolarHBondContact SG-OG1 2.79Å; T125-I127 HydrophobicContact CG2-CG2 4.21Å; T125-Y152 HydrophobicContact CG2-CD2 4.32Å; T125-Y152 HydrophobicContact CG2-CE2 3.69Å; T125-Y152 PolarHBondContact OG1-OH 2.85Å
126N88.1Confident85.4Confident21 Ų2160.9 Ų60.911%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-126.7125.7-173-44.2-96.6000108.3F97 C103 D104 I110 L118 R119 K124F97-N126 HydrophobicContact CE1-CB 3.98Å; F97-N126 WeakPolarHBondContact CE1-OD1 3.45Å; F97-N126 HydrophobicContact CZ-CB 3.83Å; C103-N126 WeakPolarHBondContact CA-O 3.34Å; D104-N126 PolarHBondContact N-O 3.45Å; D104-N126 PolarHBondContact OD2-N 3.42Å; I110-N126 HydrophobicContact CD1-CB 4.14Å; L118-N126 WeakPolarHBondContact O-CA 2.99Å; R119-N126 PolarHBondContact NE-OD1 3.29Å; R119-N126 PolarHBondContact NH2-OD1 3.17Å; K124-N126 PolarHBondContact O-ND2 2.75Å; K124-N126 PolarHBondContact O-OD1 2.8Å
127I89.9Confident84.9Confident0 Ų064.6 Ų64.60%030%0.303CS..EExtended strand (participates in β ladder)trans-139.9160.9-17564.1171.9000111.7F92 C103 V105 G117 L118 T125 C131 Q132 V135F92-I127 HydrophobicContact CD1-CD1 4.18Å; F92-I127 HydrophobicContact CD1-CG1 4.31Å; F92-I127 HydrophobicContact CE1-CD1 3.52Å; F92-I127 HydrophobicContact CE1-CG1 3.76Å; F92-I127 HydrophobicContact CE2-CD1 3.91Å; F92-I127 HydrophobicContact CZ-CD1 3.37Å; F92-I127 HydrophobicContact CZ-CG1 4.14Å; C103-I127 VanDerWaalsContact SG-CA 3.59Å; V105-I127 HydrophobicContact CG2-CG2 3.75Å; G117-I127 WeakPolarHBondContact CA-O 3.39Å; L118-I127 HydrophobicContact CB-CG1 3.86Å; L118-I127 HydrophobicContact CD1-CD1 4.29Å; L118-I127 HydrophobicContact CD1-CG1 4.33Å; L118-I127 PolarHBondContact N-O 3.26Å; L118-I127 PolarHBondContact O-N 3.1Å; T125-I127 HydrophobicContact CG2-CG2 4.21Å; I127-C131 HydrophobicContact CB-CB 4.07Å; I127-C131 HydrophobicContact CD1-CB 4.48Å; I127-Q132 HydrophobicContact CD1-CB 4.32Å; I127-V135 HydrophobicContact CD1-CG2 4.3Å
128H89.4Confident84.3Confident28 Ų2867.2 Ų67.213%0.1332%0.315CS..  trans-68.2156.6162.6-53.399.2000110.4C103 C106 M109 C131C103-H128 WeakPolarHBondContact CB-CE1 3.5Å; C103-H128 WeakPolarHBondContact CB-ND1 3.4Å; C103-H128 PolarHBondContact SG-ND1 2.79Å; C106-H128 PolarHBondContact SG-CE1 2.9Å; C106-H128 PolarHBondContact SG-ND1 3.38Å; C106-H128 VanDerWaalsContact SG-ND1 3.37Å; M109-H128 PolarHBondContact O-NE2 3.1Å; H128-C131 HydrophobicContact CB-CB 4.28Å; H128-C131 WeakPolarHBondContact O-CA 3.46Å; H128-C131 WeakPolarHBondContact O-CB 3.5Å; H128-C131 PolarHBondContact O-N 2.99Å
129E87.5Confident83.8Confident129 Ų12970.3 Ų70.360%0.60333%0.326SS*.G310 helixtrans-56-52.6175.4-170177161.100112.3C131 Q132E129-C131 PolarHBondContact O-N 3.02Å; E129-Q132 VanDerWaalsContact O-CB 3.28Å; E129-Q132 WeakPolarHBondContact O-CB 3.46Å; E129-Q132 PolarHBondContact O-N 2.87Å
130H86.4Confident83.5Confident150 Ų15067.2 Ų67.269%0.69432%0.316SS*.G310 helixtrans-62.2-10.4173.4-175.378.3000114.3
131C87.6Confident82.8Confident9 Ų970.7 Ų70.76%0.06133%0.331CS..G310 helixtrans-89.5-0.7173-68.20000113.4C103 V105 I127 H128 E129C103-C131 VanDerWaalsContact SG-SG 3.66Å; V105-C131 HydrophobicContact CB-CB 4.23Å; V105-C131 HydrophobicContact CG1-CB 4.42Å; V105-C131 HydrophobicContact CG2-CB 4.44Å; I127-C131 HydrophobicContact CB-CB 4.07Å; I127-C131 HydrophobicContact CD1-CB 4.48Å; H128-C131 HydrophobicContact CB-CB 4.28Å; H128-C131 WeakPolarHBondContact O-CA 3.46Å; H128-C131 WeakPolarHBondContact O-CB 3.5Å; H128-C131 PolarHBondContact O-N 2.99Å; E129-C131 PolarHBondContact O-N 3.02Å
132Q86.1Confident82.6Confident77 Ų7764.7 Ų64.736%0.3631%0.31SS..SBendtrans-63.2-47.4-177.4-178.7173.6-49.200113.1F92 L118 I127 E129 Y134 V135 E136F92-Q132 HydrophobicContact CD2-CG 4.28Å; L118-Q132 HydrophobicContact CD1-CB 3.88Å; L118-Q132 HydrophobicContact CD1-CG 4.27Å; I127-Q132 HydrophobicContact CD1-CB 4.32Å; E129-Q132 VanDerWaalsContact O-CB 3.28Å; E129-Q132 WeakPolarHBondContact O-CB 3.46Å; E129-Q132 PolarHBondContact O-N 2.87Å; Q132-Y134 VanDerWaalsContact C-N 3.27Å; Q132-Y134 PolarHBondContact O-N 3.46Å; Q132-V135 CarbonylContact O-C 3.25Å; Q132-V135 PolarHBondContact O-N 2.99Å; Q132-E136 PolarHBondContact O-N 3.02Å
133S82.8Confident82.1Confident67 Ų6770.7 Ų70.747%0.46933%0.333SS..Hα-helixtrans-56.2-38.9-177.450.20000113V135 E136S133-V135 PolarHBondContact O-N 3.1Å; S133-V135 VanDerWaalsContact O-N 3.17Å; S133-E136 WeakPolarHBondContact O-CB 3.16Å; S133-E136 PolarHBondContact O-N 2.81Å
134Y80.9Confident81.3Confident145 Ų14572.6 Ų72.657%0.56934%0.342SS*.Hα-helixtrans-63.5-18.3175.9-60.8-92.6000114V105 Q132 Q138V105-Y134 HydrophobicContact CG1-CG 4.42Å; Q132-Y134 VanDerWaalsContact C-N 3.27Å; Q132-Y134 PolarHBondContact O-N 3.46Å; Y134-Q138 WeakPolarHBondContact O-CG 3.3Å
135V77.4Confident80.5Confident1 Ų169.5 Ų69.51%0.00634%0.337CS..Hα-helixtrans-110.7-12.1-179-166.40000112.2H90 F92 V105 I127 Q132 S133 M137 Q138H90-V135 HydrophobicContact CB-CG1 4.4Å; F92-V135 HydrophobicContact CE2-CB 4.2Å; F92-V135 HydrophobicContact CE2-CG1 4.15Å; F92-V135 HydrophobicContact CZ-CB 4.15Å; F92-V135 HydrophobicContact CZ-CG1 3.89Å; V105-V135 HydrophobicContact CG2-CG2 3.27Å; I127-V135 HydrophobicContact CD1-CG2 4.3Å; Q132-V135 CarbonylContact O-C 3.25Å; Q132-V135 PolarHBondContact O-N 2.99Å; S133-V135 PolarHBondContact O-N 3.1Å; S133-V135 VanDerWaalsContact O-N 3.17Å; V135-M137 VanDerWaalsContact C-N 3.31Å; V135-M137 PolarHBondContact O-N 3.14Å; V135-Q138 HydrophobicContact CG1-CB 4.22Å; V135-Q138 WeakPolarHBondContact O-CB 3.46Å; V135-Q138 PolarHBondContact O-N 3.42Å
136E76.3Confident79.1Confident119 Ų11975.9 Ų75.956%0.55638%0.379SS*.Hα-helixtrans-60.3-40179.4-174.5156.2-141.200112.4N86 Q132 S133 Q138N86-E136 PolarHBondContact ND2-O 2.93Å; Q132-E136 PolarHBondContact O-N 3.02Å; S133-E136 WeakPolarHBondContact O-CB 3.16Å; S133-E136 PolarHBondContact O-N 2.81Å; E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 PolarHBondContact O-N 2.94Å
137M70.3Confident77.7Confident156 Ų15678.7 Ų78.777%0.76841%0.413SS*.THydrogen-bonded Turntrans-82.5-0.7174.1-61.3174.917900113.8V135V135-M137 VanDerWaalsContact C-N 3.31Å; V135-M137 PolarHBondContact O-N 3.14Å
138Q76.4Confident76.4Confident56 Ų5685.2 Ų85.226%0.26244%0.442SS..SBendtrans-100.7136.2-174.6-59.8-62.5-34.900112.2N86 H90 Y134 V135 E136 C140 L156N86-Q138 VanDerWaalsContact ND2-C 3.34Å; N86-Q138 PolarHBondContact ND2-O 2.93Å; H90-Q138 PolarHBondContact CD2-O 3.11Å; H90-Q138 VanDerWaalsContact CD2-O 3.31Å; Y134-Q138 WeakPolarHBondContact O-CG 3.3Å; V135-Q138 HydrophobicContact CG1-CB 4.22Å; V135-Q138 WeakPolarHBondContact O-CB 3.46Å; V135-Q138 PolarHBondContact O-N 3.42Å; E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 PolarHBondContact O-N 2.94Å; Q138-C140 PolarHBondContact O-N 3.46Å; Q138-L156 HydrophobicContact CB-CD1 4.36Å; Q138-L156 VanDerWaalsContact OE1-CD1 3.3Å
139R78.6Confident75Confident72 Ų7294.5 Ų94.527%0.27248%0.475SS..  trans-71.3124.9-174.2-170.2-176.4-179.696.7-14.1112.5D87 K88 F141D87-R139 IonicContact OD2-CZ 2.69Å; D87-R139 IonicContact OD2-NH1 3.21Å; D87-R139 PolarHBondContact OD2-NH1 3.19Å; K88-R139 HydrophobicContact CB-CG 4.25Å; R139-F141 WeakPolarHBondContact O-CD2 3.25Å; R139-F141 WeakPolarHBondContact O-CE2 3.43Å; R139-F141 PolarHBondContact O-N 3.33Å
140C82.9Confident73.9Confident8 Ų891.3 Ų91.35%0.05446%0.458CS..  trans-81.3101.2177.4-164.20000112.3K88 H90 C123 Q138 G142K88-C140 WeakPolarHBondContact O-CA 3.24Å; K88-C140 WeakPolarHBondContact O-CB 3.39Å; K88-C140 PolarHBondContact O-N 2.63Å; H90-C140 HydrophobicContact CB-CB 4.46Å; H90-C140 VanDerWaalsContact CD2-CB 3.43Å; H90-C140 WeakPolarHBondContact CD2-CB 3.44Å; H90-C140 WeakPolarHBondContact NE2-CA 3.35Å; C123-C140 VanDerWaalsContact SG-SG 3.61Å; Q138-C140 PolarHBondContact O-N 3.46Å; C140-G142 VanDerWaalsContact C-N 3.26Å; C140-G142 PolarHBondContact O-N 2.85Å
141F74.4Confident72.6Confident72 Ų7287 Ų8732%0.31645%0.449SS..  trans-78.58.2178.6-50.8-94.8000115.6R139 R150 L156R139-F141 WeakPolarHBondContact O-CD2 3.25Å; R139-F141 WeakPolarHBondContact O-CE2 3.43Å; R139-F141 PolarHBondContact O-N 3.33Å; F141-R150 VanDerWaalsContact CB-NH2 3.25Å; F141-R150 VanDerWaalsContact CD2-CZ 3.45Å; F141-L156 HydrophobicContact CE2-CD1 3.6Å; F141-L156 HydrophobicContact CE2-CD2 3.94Å; F141-L156 HydrophobicContact CE2-CG 4.41Å; F141-L156 HydrophobicContact CZ-CD1 3.89Å; F141-L156 HydrophobicContact CZ-CD2 4.06Å; F141-L156 HydrophobicContact CZ-CG 4.48Å
142G80.7Confident71.3Confident17 Ų1788.1 Ų88.118%0.17545%0.452CS..  trans64.7-150.5-18000000115.4N122 C123 C140 I144N122-G142 CarbonylContact O-C 3.57Å; N122-G142 VanDerWaalsContact O-C 3.25Å; N122-G142 WeakPolarHBondContact O-CA 2.98Å; C123-G142 VanDerWaalsContact CA-O 3.24Å; C123-G142 WeakPolarHBondContact CA-O 3.36Å; C123-G142 WeakPolarHBondContact CB-O 3.4Å; C140-G142 VanDerWaalsContact C-N 3.26Å; C140-G142 PolarHBondContact O-N 2.85Å; G142-I144 PolarHBondContact O-N 2.78Å
143K74.6Confident69.5Low194 Ų19489.1 Ų89.184%0.84347%0.467SS*.SBendtrans-58.3117.1-172-64.5177.3-175.4172.60111.2N122N122-K143 PolarHBondContact O-N 2.85Å
144I66.3Low67.8Low47 Ų4789.3 Ų89.324%0.24147%0.468CS..PPolyproline II helixtrans-83.3134.8175.1-44.1-173.6000109.3G142 F148 R150G142-I144 PolarHBondContact O-N 2.78Å; I144-F148 HydrophobicContact CG2-CB 3.96Å; I144-F148 HydrophobicContact CG2-CD1 3.96Å; I144-F148 HydrophobicContact CG2-CG 4.46Å; I144-F148 WeakPolarHBondContact CG2-O 3.45Å; I144-R150 HydrophobicContact CD1-CG 4.23Å; I144-R150 VanDerWaalsContact CD1-NH1 3.31Å
145P68.4Low66.1Low87 Ų8788.4 Ų88.457%0.56548%0.481SS*.PPolyproline II helixtrans-57.3144.7172.4-25.735.3000112.4G147 F148P145-G147 PolarHBondContact O-N 2.91Å; P145-F148 PolarHBondContact O-N 2.9Å
146P56Low64.6Low138 Ų13891.5 Ų91.590%0.89650%0.497SS*.THydrogen-bonded Turntrans-60.1137.8177.226.7-34.2000110.8
147G60Low62.7Low81 Ų8191.8 Ų91.884%0.83549%0.494SS*.THydrogen-bonded Turntrans96.7-33.7-174.600000114.1P145 R149P145-G147 PolarHBondContact O-N 2.91Å; G147-R149 PolarHBondContact O-N 3.48Å
148F61.3Low61.3Low137 Ų13788.6 Ų88.660%0.60149%0.487SS*.  trans-82.4121.1179.7-159.9-99.3000111.3I144 P145 R150I144-F148 HydrophobicContact CG2-CB 3.96Å; I144-F148 HydrophobicContact CG2-CD1 3.96Å; I144-F148 HydrophobicContact CG2-CG 4.46Å; I144-F148 WeakPolarHBondContact CG2-O 3.45Å; P145-F148 PolarHBondContact O-N 2.9Å; F148-R150 HydrophobicContact CD1-CG 4.48Å; F148-R150 HydrophobicContact CE1-CG 4.21Å
149R61.1Low59.7Low222 Ų22289.5 Ų89.584%0.83849%0.493SS*.  trans-110.9124.5176.1-68.8-105.9-74.3-800.7108.7G147G147-R149 PolarHBondContact O-N 3.48Å
150R64.6Low58Low62 Ų6294 Ų9423%0.23452%0.517CS..  trans-82.8135.5172-76.2-168.5-177.7104.89.7110.7F141 I144 F148 Y152F141-R150 VanDerWaalsContact CB-NH2 3.25Å; F141-R150 VanDerWaalsContact CD2-CZ 3.45Å; I144-R150 HydrophobicContact CD1-CG 4.23Å; I144-R150 VanDerWaalsContact CD1-NH1 3.31Å; F148-R150 HydrophobicContact CD1-CG 4.48Å; F148-R150 HydrophobicContact CE1-CG 4.21Å; R150-Y152 HydrophobicContact CB-CD2 4.16Å; R150-Y152 HydrophobicContact CB-CE2 3.7Å
151A58.1Low56.1Low61 Ų6199.4 Ų99.450%0.50454%0.542SS..  trans-92.1117.915800000107.9S153A151-S153 PolarHBondContact O-N 2.87Å
152Y60Low54.5Low31 Ų31104.6 Ų104.612%0.12256%0.56CS.*THydrogen-bonded Turntrans-81.93.9176.9-70.5-98.4000112.6D104 T125 R150 S154D104-Y152 HydrophobicContact CB-CD2 3.88Å; D104-Y152 HydrophobicContact CB-CE2 4.15Å; D104-Y152 WeakPolarHBondContact O-CB 3.44Å; T125-Y152 HydrophobicContact CG2-CD2 4.32Å; T125-Y152 HydrophobicContact CG2-CE2 3.69Å; T125-Y152 PolarHBondContact OG1-OH 2.85Å; R150-Y152 HydrophobicContact CB-CD2 4.16Å; R150-Y152 HydrophobicContact CB-CE2 3.7Å; Y152-S154 VanDerWaalsContact C-N 3.3Å
153S49.6Very low52.5Low98 Ų98108 Ų10869%0.68559%0.588SS**THydrogen-bonded Turntrans-81.6-1.3173.852.60000114.4A151A151-S153 PolarHBondContact O-N 2.87Å
154S47.1Very low50.8Low71 Ų71104 Ų10450%0.49758%0.583SS.*SBendtrans-102.8123.8173.8-630000110Y152 L156Y152-S154 VanDerWaalsContact C-N 3.3Å; S154-L156 PolarHBondContact O-N 2.85Å
155P44.8Very low49.7Very low127 Ų127108 Ų10883%0.82560%0.603SS**PPolyproline II helixtrans-53.8127.3170.8-25.234.9000110.4Y157P155-Y157 PolarHBondContact O-N 2.73Å
156L45.4Very low48.3Very low66 Ų66112 Ų11235%0.34661%0.612SS.*PPolyproline II helixtrans-73.7120.1-171.8-69.5176.3000111.4Q138 F141 S154Q138-L156 HydrophobicContact CB-CD1 4.36Å; Q138-L156 VanDerWaalsContact OE1-CD1 3.3Å; F141-L156 HydrophobicContact CE2-CD1 3.6Å; F141-L156 HydrophobicContact CE2-CD2 3.94Å; F141-L156 HydrophobicContact CE2-CG 4.41Å; F141-L156 HydrophobicContact CZ-CD1 3.89Å; F141-L156 HydrophobicContact CZ-CD2 4.06Å; F141-L156 HydrophobicContact CZ-CG 4.48Å; S154-L156 PolarHBondContact O-N 2.85Å
157Y37.3Very low47.3Very low125 Ų125112.5 Ų112.549%0.4961%0.607SS.*PPolyproline II helixtrans-62.8137.9173.2-150.4-104.5000111.2P155 Q161 E322P155-Y157 PolarHBondContact O-N 2.73Å; Y157-Q161 PolarHBondContact OH-NE2 3.19Å; Y157-E322 WeakPolarHBondContact CE2-OE1 3.32Å; Y157-E322 WeakPolarHBondContact CE2-OE2 3.46Å; Y157-E322 VanDerWaalsContact CZ-OE2 3.3Å; Y157-E322 PolarHBondContact OH-OE1 2.79Å; Y157-E322 PolarHBondContact OH-OE2 3.39Å
158S40.9Very low46.2Very low89 Ų89116.3 Ų116.362%0.62261%0.607SS**PPolyproline II helixtrans-70.2151.7-174.2-169.40000112.3Q160S158-Q160 PolarHBondContact O-N 2.89Å; S158-Q160 VanDerWaalsContact O-N 3.16Å
159N41.9Very low45.3Very low74 Ų74115.6 Ų115.640%0.39662%0.619SS.*G310 helixtrans-75.71.2-170.9-105.3-114.2000115.2Q161 Y162N159-Q161 PolarHBondContact O-N 2.85Å; N159-Q161 VanDerWaalsContact O-N 3.16Å; N159-Y162 PolarHBondContact O-N 3.2Å
160Q43.6Very low44.2Very low167 Ų167109.1 Ų109.178%0.7861%0.613SS**G310 helixtrans-57.4-33.2-172.1-147.470.819.700114S158 Y162S158-Q160 PolarHBondContact O-N 2.89Å; S158-Q160 VanDerWaalsContact O-N 3.16Å; Q160-Y162 PolarHBondContact O-N 3.31Å
161Q42.9Very low43.4Very low121 Ų121111.5 Ų111.557%0.56565%0.646SS**G310 helixtrans-77.5-16-175.4-69.9178.9-500114.5Y157 N159 A163 C164Y157-Q161 PolarHBondContact OH-NE2 3.19Å; N159-Q161 PolarHBondContact O-N 2.85Å; N159-Q161 VanDerWaalsContact O-N 3.16Å; Q161-A163 PolarHBondContact O-N 3.09Å; Q161-C164 PolarHBondContact O-N 3.14Å
162Y39.7Very low42.7Very low181 Ų181115.1 Ų115.171%0.7166%0.657SS**G310 helixtrans-73.5-8.7-174.6-108.7-73.3000114.7N159 Q160 C164N159-Y162 PolarHBondContact O-N 3.2Å; Q160-Y162 PolarHBondContact O-N 3.31Å; Y162-C164 VanDerWaalsContact C-N 3.32Å
163A39.2Very low42.5Very low90 Ų90124.3 Ų124.374%0.74469%0.691SS**G310 helixtrans-71.8-23.4175.300000113.6Q161Q161-A163 PolarHBondContact O-N 3.09Å
164C38.3Very low42.7Very low110 Ų110125.5 Ų125.574%0.74369%0.69SS**SBendtrans-80.3-24.2-172.9-170.50000114.1Q161 Y162 K166Q161-C164 PolarHBondContact O-N 3.14Å; Y162-C164 VanDerWaalsContact C-N 3.32Å; C164-K166 PolarHBondContact O-N 2.82Å
165I43.1Very low43.8Very low129 Ų129126 Ų12666%0.66269%0.687SS**THydrogen-bonded Turntrans-103.849.1-163.7-37179.2000111.5
166K39.6Very low45.1Very low173 Ų173124.4 Ų124.475%0.75268%0.677SS**THydrogen-bonded Turntrans-110.2-24.9179.1-150.6-178.1177.2-166.30114.9C164C164-K166 PolarHBondContact O-N 2.82Å
167D34.9Very low46.5Very low148 Ų148125.7 Ų125.779%0.79169%0.687SS**SBendtrans-108.422.6-167.7-57.8-54.8000114.9
168L37.1Very low48.3Very low160 Ų160125.3 Ų125.384%0.83869%0.688SS**  trans-120.247.9177.4-82.2165.4000113.1A170L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 2.97Å
169S41.8Very low49.6Very low122 Ų122123.5 Ų123.585%0.85367%0.67SS**  trans-87.763.8167.665.60000111.9
170A38.3Very low51.3Low86 Ų86124.8 Ų124.871%0.71168%0.681SS**SBendtrans-136.8142.6171.200000110.2L168 N172L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 2.97Å; A170-N172 PolarHBondContact O-N 2.92Å
171A48.7Very low53Low113 Ų113122.2 Ų122.293%0.93467%0.672SS**  trans-74.2117.7-170.900000112.5
172N42.8Very low54.7Low136 Ų136121.2 Ų121.273%0.72766%0.663SS**  trans-140.9126.1162.7-155.3-30.5000110.9A170 N174A170-N172 PolarHBondContact O-N 2.92Å; N172-N174 VanDerWaalsContact C-N 3.32Å; N172-N174 PolarHBondContact O-N 3.06Å; N172-N174 PolarHBondContact OD1-ND2 2.77Å
173R55.5Low56.5Low224 Ų224116.2 Ų116.285%0.84565%0.651SS**  trans-91.652.3-173.8-75.8-175.2162.4-160.5-1.1112
174N53.3Low58.5Low124 Ų124113.6 Ų113.666%0.66363%0.633SS**  trans-143.957.1-179.5-74.7-64.4000112.2N172N172-N174 VanDerWaalsContact C-N 3.32Å; N172-N174 PolarHBondContact O-N 3.06Å; N172-N174 PolarHBondContact OD1-ND2 2.77Å
175D70.8Confident60.5Low80 Ų80112.4 Ų112.443%0.42862%0.622SS.*  trans-81.5117163.4169.310.8000108.8V177 F178 E179D175-V177 PolarHBondContact O-N 2.89Å; D175-V177 WeakPolarHBondContact OD1-CB 3.39Å; D175-V177 PolarHBondContact OD1-N 3.4Å; D175-F178 HydrophobicContact CB-CB 3.79Å; D175-F178 PolarHBondContact O-N 3.44Å; D175-F178 VanDerWaalsContact O-N 3.08Å; D175-F178 PolarHBondContact OD2-N 3.38Å; D175-E179 PolarHBondContact O-N 3.33Å
176P72.2Confident62.2Low95 Ų95111.2 Ų111.262%0.61762%0.616SS**Hα-helixtrans-63.4-26.8-179.626.6-34.7000112.9T180P176-T180 WeakPolarHBondContact O-CB 3.22Å; P176-T180 PolarHBondContact O-N 3.01Å; P176-T180 PolarHBondContact O-OG1 3.38Å
177V75.3Confident63.7Low92 Ų92108.5 Ų108.556%0.55861%0.608SS**Hα-helixtrans-70.2-42.5174-173.10000109.8D175 T180 L181D175-V177 PolarHBondContact O-N 2.89Å; D175-V177 WeakPolarHBondContact OD1-CB 3.39Å; D175-V177 PolarHBondContact OD1-N 3.4Å; V177-T180 PolarHBondContact O-N 2.76Å; V177-L181 HydrophobicContact CG1-CD1 4.2Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 WeakPolarHBondContact O-CG 3.41Å; V177-L181 PolarHBondContact O-N 3.24Å
178F73.9Confident65.3Low118 Ų118103 Ų10352%0.51858%0.583SS.*Hα-helixtrans-67.2-40.4177-161.5-85.3000113D175 L181 R182D175-F178 HydrophobicContact CB-CB 3.79Å; D175-F178 PolarHBondContact O-N 3.44Å; D175-F178 VanDerWaalsContact O-N 3.08Å; D175-F178 PolarHBondContact OD2-N 3.38Å; F178-L181 PolarHBondContact O-N 3.44Å; F178-R182 WeakPolarHBondContact O-CB 3.45Å; F178-R182 PolarHBondContact O-N 3.17Å
179E69Low66.9Low51 Ų5199.5 Ų99.524%0.23857%0.565CS.*Hα-helixtrans-68.3-37.6175.8-67.7-55147.900112D175 R182 T183D175-E179 PolarHBondContact O-N 3.33Å; E179-R182 VanDerWaalsContact CD-CZ 3.47Å; E179-R182 PolarHBondContact O-N 2.9Å; E179-R182 IonicContact OE1-CZ 2.64Å; E179-R182 IonicContact OE1-NH1 2.61Å; E179-R182 PolarHBondContact OE1-NH1 3.31Å; E179-R182 IonicContact OE1-NH2 3.77Å; E179-R182 PolarHBondContact OE1-NH2 2.98Å; E179-R182 IonicContact OE2-CZ 3.76Å; E179-R182 IonicContact OE2-NE 2.73Å; E179-R182 IonicContact OE2-NH1 2.68Å; E179-R182 PolarHBondContact OE2-NH1 3.06Å; E179-R182 IonicContact OE2-NH2 2.96Å; E179-T183 WeakPolarHBondContact O-CB 3.46Å; E179-T183 PolarHBondContact O-N 2.94Å; E179-T183 PolarHBondContact O-OG1 2.77Å
180T76.5Confident68.2Low101 Ų101101.4 Ų101.462%0.6256%0.558SS**Hα-helixtrans-61.7-47.1172.8-57.90000111P176 V177 T183 G184P176-T180 WeakPolarHBondContact O-CB 3.22Å; P176-T180 PolarHBondContact O-N 3.01Å; P176-T180 PolarHBondContact O-OG1 3.38Å; V177-T180 PolarHBondContact O-N 2.76Å; T180-T183 PolarHBondContact O-N 2.98Å; T180-G184 PolarHBondContact O-N 3.44Å
181L80.3Confident69.2Low112 Ų112104.5 Ų104.559%0.58656%0.557SS**Hα-helixtrans-61.5-44.8175.1-83.2164.2000112.2V177 F178 T183 G184 V185V177-L181 HydrophobicContact CG1-CD1 4.2Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 WeakPolarHBondContact O-CG 3.41Å; V177-L181 PolarHBondContact O-N 3.24Å; F178-L181 PolarHBondContact O-N 3.44Å; L181-T183 VanDerWaalsContact C-N 3.32Å; L181-T183 PolarHBondContact O-N 2.92Å; L181-G184 PolarHBondContact O-N 3.28Å; L181-V185 WeakPolarHBondContact O-CG2 3.14Å; L181-V185 PolarHBondContact O-N 2.89Å
182R77.9Confident69.7Low101 Ų101107.4 Ų107.438%0.38154%0.544SS..Hα-helixtrans-59.6-44.2176.6-170.4-169.3-63149.611.9110.9F178 E179 V185 I186F178-R182 WeakPolarHBondContact O-CB 3.45Å; F178-R182 PolarHBondContact O-N 3.17Å; E179-R182 VanDerWaalsContact CD-CZ 3.47Å; E179-R182 PolarHBondContact O-N 2.9Å; E179-R182 IonicContact OE1-CZ 2.64Å; E179-R182 IonicContact OE1-NH1 2.61Å; E179-R182 PolarHBondContact OE1-NH1 3.31Å; E179-R182 IonicContact OE1-NH2 3.77Å; E179-R182 PolarHBondContact OE1-NH2 2.98Å; E179-R182 IonicContact OE2-CZ 3.76Å; E179-R182 IonicContact OE2-NE 2.73Å; E179-R182 IonicContact OE2-NH1 2.68Å; E179-R182 PolarHBondContact OE2-NH1 3.06Å; E179-R182 IonicContact OE2-NH2 2.96Å; R182-V185 PolarHBondContact O-N 2.63Å; R182-I186 HydrophobicContact CG-CD1 3.89Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.4Å; R182-I186 PolarHBondContact O-N 3.04Å
183T78.1Confident70.4Confident75 Ų75109 Ų10946%0.4654%0.544SS..Hα-helixtrans-63-46.8-179.9-590000111.2E179 T180 L181 V185 I186 M187E179-T183 WeakPolarHBondContact O-CB 3.46Å; E179-T183 PolarHBondContact O-N 2.94Å; E179-T183 PolarHBondContact O-OG1 2.77Å; T180-T183 PolarHBondContact O-N 2.98Å; L181-T183 VanDerWaalsContact C-N 3.32Å; L181-T183 PolarHBondContact O-N 2.92Å; T183-V185 PolarHBondContact O-N 3.33Å; T183-I186 PolarHBondContact O-N 2.85Å; T183-M187 HydrophobicContact CG2-SD 4.06Å; T183-M187 WeakPolarHBondContact O-CG 3.41Å; T183-M187 PolarHBondContact O-N 2.87Å
184G81.5Confident70.3Confident36 Ų36106.6 Ų106.637%0.37154%0.54SS..Hα-helixtrans-60.2-41.4174.600000113.4T180 L181 M187 A188T180-G184 PolarHBondContact O-N 3.44Å; L181-G184 PolarHBondContact O-N 3.28Å; G184-M187 PolarHBondContact O-N 3.18Å; G184-A188 WeakPolarHBondContact O-CB 3.44Å; G184-A188 PolarHBondContact O-N 2.85Å
185V80.6Confident70.1Confident85 Ų85104 Ų10452%0.51554%0.543SS..Hα-helixtrans-67-37.5176.1170.70000112.1L181 R182 T183 N189L181-V185 WeakPolarHBondContact O-CG2 3.14Å; L181-V185 PolarHBondContact O-N 2.89Å; R182-V185 PolarHBondContact O-N 2.63Å; T183-V185 PolarHBondContact O-N 3.33Å; V185-N189 WeakPolarHBondContact O-CB 3.4Å; V185-N189 PolarHBondContact O-N 3.05Å; V185-N189 PolarHBondContact O-ND2 3.08Å
186I77.7Confident69.2Low103 Ų103108 Ų10853%0.52856%0.559SS.*Hα-helixtrans-65.3-45.7174.8-71.9168.1000110.5R182 T183 N189 K190R182-I186 HydrophobicContact CG-CD1 3.89Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.4Å; R182-I186 PolarHBondContact O-N 3.04Å; T183-I186 PolarHBondContact O-N 2.85Å; I186-N189 PolarHBondContact O-N 3.12Å; I186-K190 WeakPolarHBondContact O-CB 3.37Å; I186-K190 PolarHBondContact O-N 2.93Å
187M71.1Confident67.8Low117 Ų117106.9 Ų106.958%0.57656%0.558SS**Hα-helixtrans-58.3-53.5176.6-73.5165.352.700111.8T183 G184 N189 K190 E191T183-M187 HydrophobicContact CG2-SD 4.06Å; T183-M187 WeakPolarHBondContact O-CG 3.41Å; T183-M187 PolarHBondContact O-N 2.87Å; G184-M187 PolarHBondContact O-N 3.18Å; M187-N189 PolarHBondContact O-N 3.38Å; M187-N189 VanDerWaalsContact O-N 3.14Å; M187-K190 WeakPolarHBondContact O-CB 3.33Å; M187-K190 PolarHBondContact O-N 2.82Å; M187-E191 PolarHBondContact O-N 3.29Å; M187-E191 VanDerWaalsContact O-N 3.1Å
188A69.8Low66.7Low33 Ų33109.2 Ų109.227%0.27357%0.567SS.*Hα-helixtrans-64.9-19.2-178.100000114.1G184 R192G184-A188 WeakPolarHBondContact O-CB 3.44Å; G184-A188 PolarHBondContact O-N 2.85Å; A188-R192 WeakPolarHBondContact O-CG 3.48Å; A188-R192 PolarHBondContact O-NH1 2.94Å
189N68.9Low65.7Low86 Ų86112.7 Ų112.746%0.4658%0.582SS.*Hα-helixtrans-91.3-27.8172.5-73.4-34.5000112.8V185 I186 M187 R192 K193V185-N189 WeakPolarHBondContact O-CB 3.4Å; V185-N189 PolarHBondContact O-N 3.05Å; V185-N189 PolarHBondContact O-ND2 3.08Å; I186-N189 PolarHBondContact O-N 3.12Å; M187-N189 PolarHBondContact O-N 3.38Å; M187-N189 VanDerWaalsContact O-N 3.14Å; N189-R192 PolarHBondContact O-N 3.28Å; N189-K193 PolarHBondContact O-N 3.4Å; N189-K193 VanDerWaalsContact O-N 3.11Å
190K70.1Confident64.2Low162 Ų162120 Ų12070%0.70461%0.613SS**Hα-helixtrans-65.5-41.4172.7-172.3175.7-180179.30111.5I186 M187 K193 K194I186-K190 WeakPolarHBondContact O-CB 3.37Å; I186-K190 PolarHBondContact O-N 2.93Å; M187-K190 WeakPolarHBondContact O-CB 3.33Å; M187-K190 PolarHBondContact O-N 2.82Å; K190-K193 PolarHBondContact O-N 3.27Å; K190-K194 PolarHBondContact O-N 2.69Å; K190-K194 VanDerWaalsContact O-N 3.08Å
191E59.3Low62.5Low150 Ų150121.1 Ų121.170%0.70162%0.615SS**Hα-helixtrans-61.2-45.9174.4-67.5179.7141.900111.9M187 K193 K194 G195M187-E191 PolarHBondContact O-N 3.29Å; M187-E191 VanDerWaalsContact O-N 3.1Å; E191-K193 VanDerWaalsContact C-N 3.29Å; E191-K193 PolarHBondContact O-N 2.84Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-K194 VanDerWaalsContact O-N 3.09Å; E191-G195 PolarHBondContact O-N 2.74Å
192R59.2Low60.3Low174 Ų174122.1 Ų122.166%0.65763%0.629SS**Hα-helixtrans-61.3-33.4176.6-72.7-178.9176.694.2-1.6113.4A188 N189A188-R192 WeakPolarHBondContact O-CG 3.48Å; A188-R192 PolarHBondContact O-NH1 2.94Å; N189-R192 PolarHBondContact O-N 3.28Å
193K56.3Low58.1Low169 Ų169124.9 Ų124.974%0.73565%0.65SS**Hα-helixtrans-73.8-32.3172.8-88.7-162.6170.1-169.50113.5N189 K190 E191 G195 Q196N189-K193 PolarHBondContact O-N 3.4Å; N189-K193 VanDerWaalsContact O-N 3.11Å; K190-K193 PolarHBondContact O-N 3.27Å; E191-K193 VanDerWaalsContact C-N 3.29Å; E191-K193 PolarHBondContact O-N 2.84Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 2.68Å; K193-Q196 PolarHBondContact O-N 2.73Å
194K54.3Low56.1Low174 Ų174126.1 Ų126.176%0.75767%0.668SS**Hα-helixtrans-64.1-37.9178.9-164.2179.3179.9-172.30111.7K190 E191 Q196K190-K194 PolarHBondContact O-N 2.69Å; K190-K194 VanDerWaalsContact O-N 3.08Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-K194 VanDerWaalsContact O-N 3.09Å; K194-Q196 VanDerWaalsContact C-N 3.27Å; K194-Q196 PolarHBondContact O-N 2.83Å
195G50Low53.9Low69 Ų69128.5 Ų128.571%0.71168%0.684SS**THydrogen-bonded Turntrans-79.210.5178.500000116.7E191 K193E191-G195 PolarHBondContact O-N 2.74Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 2.68Å
196Q49.9Very low51.5Low165 Ų165133.7 Ų133.777%0.77171%0.705SS**THydrogen-bonded Turntrans-124.31.6-176.6-162.116874.500113.9K193 K194K193-Q196 PolarHBondContact O-N 2.73Å; K194-Q196 VanDerWaalsContact C-N 3.27Å; K194-Q196 PolarHBondContact O-N 2.83Å
197A44.2Very low49.3Very low72 Ų72136.6 Ų136.660%0.59572%0.718SS**SBendtrans-80-3717900000113K199A197-K199 PolarHBondContact O-N 3.46Å
198D51.2Low47.4Very low141 Ų141139.1 Ų139.175%0.75473%0.729SS**SBendtrans-79.918.6-164.1-48.5-70.2000115.6
199K53Low45.6Very low191 Ų191145.7 Ų145.783%0.8375%0.754SS**SBendtrans-139.962.4-177.2-69.1-167.4176.2-177.10114.2A197A197-K199 PolarHBondContact O-N 3.46Å
200K37.3Very low44Very low204 Ų204149.9 Ų149.989%0.88777%0.77SS**  trans176.5136.8157.7-92144.1-173.9-176.70106.7
201N40.7Very low42.8Very low125 Ų125146.9 Ų146.967%0.66877%0.767SS**  cis-160137-5.4165.448.5000107.6L203N201-L203 PolarHBondContact OD1-N 3.44Å
202P34.8Very low41.1Very low133 Ų133148.3 Ų148.386%0.86477%0.774SS**  trans-139.591.7150.535.2-18.1000113
203L32.6Very low39.5Very low159 Ų159144.5 Ų144.583%0.83277%0.774SS**  trans-136.483.5157.8-175.967.5000109N201N201-L203 PolarHBondContact OD1-N 3.44Å
204A35.3Very low38Very low101 Ų101141 Ų14184%0.83578%0.777SS**  trans-164.340.9176.200000111.9
205A35.2Very low36.9Very low85 Ų85144 Ų14470%0.70278%0.783SS**SBendtrans-149.5122.3177.100000112.3
206M30.1Very low36.4Very low195 Ų195145.8 Ų145.896%0.96178%0.782SS**  trans73.2133.9159.3-51-174179.400117.3
207M32Very low35.2Very low164 Ų164145.1 Ų145.181%0.80878%0.779SS**  trans-101.6145.9176.9-63.7151.650.300108.3
208E31.2Very low34.5Very low170 Ų170150.5 Ų150.579%0.79479%0.792SS**  169.6151.6112.9-91.3173.2175.700113.4
209E32.4Very low33.3Very low171 Ų171147.6 Ų147.680%0.79980%0.795SS**  trans28.2124159.5-55.9-162.7124.500124.9
210E35.7Very low32.1Very low174 Ų174148.2 Ų148.281%0.81380%0.798SS**  69.2165.3127.4-70-72.881.300121.6
211P43.7Very low32.4Very low98 Ų98142.9 Ų142.964%0.63678%0.784SS**  trans-123.9-159.8-148.346.2-34.5000115.6
212E24Very low31.8Very low181 Ų181145.1 Ų145.185%0.84679%0.79SS**  trans72.2154170.4-76.5-15796.400117.1
213S25.2Very low31.3Very low94 Ų94146.2 Ų146.266%0.65779%0.789SS**  cis-159.2179.2-16.153.20000111.1
214A25.9Very low31Very low95 Ų95141.6 Ų141.679%0.78578%0.78SS**  trans70.3146151.400000122
215R31.3Very low30.7Very low238 Ų238143.1 Ų143.190%0.89877%0.774SS**  trans-105.2-165.1156.4-48.9176.5179170.3-1.8106.4
216P39.5Very low30.8Very low105 Ų105144.3 Ų144.368%0.68277%0.774SS**  cis-143.3-154.2-127.51.9000114.2
217E25Very low30.7Very low151 Ų151143 Ų14371%0.70677%0.766SS**  trans81119.4155.6-52.4-4972.800125.1
218E28.2Very low30.6Very low186 Ų186138.2 Ų138.287%0.86976%0.758SS**  trans52.5141.8130.5-55.9-152.2121.600124.6
219G25.3Very low30.7Very low80 Ų80135.6 Ų135.683%0.82575%0.75SS**  trans171.7115.4168.200000115.4
220K28Very low30.9Very low204 Ų204135.5 Ų135.589%0.88775%0.747SS**  trans-156.4169172-129.2-169.8174.6-177.50107.1
221P43.3Very low30.6Very low92 Ų92135.2 Ų135.260%0.59774%0.743SS**  cis-136.3-152.5-3.238.7-15.9000113.6
222Q28.1Very low29.9Very low172 Ų172134 Ų13480%0.80474%0.741SS**  trans71.5146.8165.2-68.9165.8-11.500116.4
223D25.7Very low30.4Very low155 Ų155132.1 Ų132.183%0.82973%0.732SS**  cis-148.8-171.6-11.7-134.2-125.5000109.2
224G24.9Very low30.8Very low62 Ų62138 Ų13864%0.63975%0.746SS**  cis-172.4-152.69.400000111.7
225N28.9Very low31Very low133 Ų133141.6 Ų141.671%0.71174%0.744SS**  trans-149.7159.2-172-179.864.7000114E227N225-E227 PolarHBondContact ND2-N 2.95Å; N225-E227 VanDerWaalsContact ND2-N 3.18Å
226P38.8Very low30.9Very low110 Ų110136.4 Ų136.471%0.71474%0.739SS**  -138136.4124.437.1-25.2000112.4
227E28.5Very low31.4Very low168 Ų168136.7 Ų136.779%0.78574%0.741SS**  60.8126.465.9-74-163.7118.300114.8N225N225-E227 PolarHBondContact ND2-N 2.95Å; N225-E227 VanDerWaalsContact ND2-N 3.18Å
228G28.5Very low31.6Very low63 Ų63137 Ų13765%0.64975%0.747SS**  cis-176.8-179.2-5.700000115.1
229D34.1Very low32.2Very low115 Ų115133.6 Ų133.662%0.61574%0.735SS**  trans64.5157.5134.4-72-31.3000122.4
230K35.2Very low32.7Very low169 Ų169139.3 Ų139.374%0.73574%0.737SS**  cis-165.5162.7-10.1-111.8156.1-170.2140.10105.9
231K30.1Very low33.4Very low168 Ų168136.3 Ų136.373%0.7373%0.726SS**  cis-159.1-172.1-2.9-144.3-165.8-179-154.90105E233K231-E233 WeakPolarHBondContact CE-OE2 3.34Å; K231-E233 IonicContact NZ-OE2 3.23Å; K231-E233 PolarHBondContact NZ-OE2 2.9Å
232A30.1Very low33Very low72 Ų72141.6 Ų141.660%0.59574%0.74SS**  cis-160.2146.7200000113.7
233E33.6Very low34Very low142 Ų142139.5 Ų139.566%0.66473%0.73SS**  trans37.7122.5130.2-57.7176.189.600123.9K231K231-E233 WeakPolarHBondContact CE-OE2 3.34Å; K231-E233 IonicContact NZ-OE2 3.23Å; K231-E233 PolarHBondContact NZ-OE2 2.9Å
234K33.1Very low34.6Very low217 Ų217138 Ų13894%0.94373%0.729SS**  -150.2166.8118.8-146.2169.4-177.8178.60110.9
235K31.2Very low35.1Very low171 Ų171138.2 Ų138.274%0.74373%0.731SS**  trans-115.4146.1-164.3-64.4-179.4176.4179.50114.6
236T27.9Very low35.8Very low129 Ų129137.5 Ų137.579%0.79172%0.722SS**  trans58.2157.5141.652.30000121.2
237P51.3Low36.1Very low112 Ų112140 Ų14073%0.72772%0.724SS**  cis-136.6-158.6-33.237.7-17.8000112.3
238D28.8Very low37.1Very low157 Ų157141.1 Ų141.184%0.8473%0.729SS**  trans91172150-126.2-95.6000121.4
239D39.8Very low38.6Very low115 Ų115140.1 Ų140.162%0.61571%0.712SS**  trans-79.1138.4-141-153.6-59.6000116.8H241D239-H241 PolarHBondContact OD1-N 3.05Å
240K37Very low40.6Very low200 Ų200136.7 Ų136.787%0.8769%0.692SS**  -160.987.7129.7-106.1149.3-164.7167.80114.3K242K240-K242 PolarHBondContact O-N 3.28Å
241H42.7Very low43.1Very low140 Ų140132.6 Ų132.665%0.64867%0.673SS**  trans13.380.9142.7-15852.3000117D239 Q243D239-H241 PolarHBondContact OD1-N 3.05Å; H241-Q243 VanDerWaalsContact C-N 3.26Å; H241-Q243 VanDerWaalsContact CD2-CG 3.43Å; H241-Q243 WeakPolarHBondContact CD2-CG 3.29Å; H241-Q243 PolarHBondContact CD2-NE2 3.39Å; H241-Q243 WeakPolarHBondContact NE2-CG 3.42Å; H241-Q243 PolarHBondContact NE2-NE2 3.26Å; H241-Q243 PolarHBondContact O-N 2.96Å
242K35.2Very low46.1Very low203 Ų203125.5 Ų125.588%0.88364%0.642SS**  trans-74.378.4170.6-171.3-174.8-179.3-178.80110.1K240K240-K242 PolarHBondContact O-N 3.28Å
243Q47.9Very low49.2Very low128 Ų128122.1 Ų122.160%0.59861%0.614SS**  trans-58137.4170.8-69.1-157.5-13.500110.2H241 G245H241-Q243 VanDerWaalsContact C-N 3.26Å; H241-Q243 VanDerWaalsContact CD2-CG 3.43Å; H241-Q243 WeakPolarHBondContact CD2-CG 3.29Å; H241-Q243 PolarHBondContact CD2-NE2 3.39Å; H241-Q243 WeakPolarHBondContact NE2-CG 3.42Å; H241-Q243 PolarHBondContact NE2-NE2 3.26Å; H241-Q243 PolarHBondContact O-N 2.96Å; Q243-G245 PolarHBondContact O-N 3.47Å
244P38.6Very low52.2Low124 Ų124115.3 Ų115.381%0.80558%0.582SS**  trans-64.9103.1160.328.7-30.7000106.8F246P244-F246 PolarHBondContact O-N 2.97Å
245G35.5Very low55Low67 Ų67105.5 Ų105.569%0.69154%0.54SS*.  trans-59.598.5-173.800000111.4Q243 Q247Q243-G245 PolarHBondContact O-N 3.47Å; G245-Q247 PolarHBondContact O-N 2.94Å
246F43.4Very low57.9Low118 Ų118101.2 Ų101.252%0.51852%0.52SS..  trans-63107.1178.7-159.6-83000107.8P244 Q248 H250P244-F246 PolarHBondContact O-N 2.97Å; F246-Q248 WeakPolarHBondContact O-CG 3.42Å; F246-Q248 PolarHBondContact O-N 3.05Å; F246-H250 HydrophobicContact CE1-CB 4.42Å
247Q45.2Very low61.1Low162 Ų16299.9 Ų99.976%0.75750%0.5SS*.  trans-60.3112.6-179.3-68.5-179.6-15.200108G245 S249G245-Q247 PolarHBondContact O-N 2.94Å; Q247-S249 PolarHBondContact O-N 3.22Å
248Q50.2Low63.1Low192 Ų19295.5 Ų95.590%0.89747%0.47SS*.SBendtrans-73.929.5-167.4-62.2-176.7-15.500113.9F246 H250F246-Q248 WeakPolarHBondContact O-CG 3.42Å; F246-Q248 PolarHBondContact O-N 3.05Å; Q248-H250 PolarHBondContact O-N 3.44Å
249S59.7Low66.1Low41 Ų4194.8 Ų94.829%0.28746%0.459SS..SBendtrans-81.34.1173.159.60000113.1Q247 R305 T306Q247-S249 PolarHBondContact O-N 3.22Å; S249-R305 CarbonylContact O-C 3.55Å; S249-R305 WeakPolarHBondContact O-CA 3.21Å; S249-T306 VanDerWaalsContact CA-OG1 3.24Å; S249-T306 WeakPolarHBondContact CA-OG1 3.46Å; S249-T306 WeakPolarHBondContact CB-OG1 3.34Å; S249-T306 PolarHBondContact O-N 2.88Å; S249-T306 PolarHBondContact O-OG1 3.04Å; S249-T306 VanDerWaalsContact O-OG1 3.07Å
250H75.6Confident68.6Low44 Ų4491.2 Ų91.220%0.20445%0.446CS..EExtended strand (participates in β ladder)trans-138.1131.9-175.8-55.4-35.5000111.7F246 Q248 R303 V304F246-H250 HydrophobicContact CE1-CB 4.42Å; Q248-H250 PolarHBondContact O-N 3.44Å; H250-R303 HydrophobicContact CB-CG 4.43Å; H250-R303 PolarHBondContact CD2-NE 3.02Å; H250-R303 PolarHBondContact CD2-NH2 3.32Å; H250-R303 PolarHBondContact NE2-NH2 3.4Å; H250-V304 VanDerWaalsContact CA-O 3.3Å; H250-V304 WeakPolarHBondContact CA-O 3.33Å
251Y89.1Confident71.1Confident83 Ų8389.2 Ų89.233%0.32544%0.444SS..EExtended strand (participates in β ladder)trans-127.3168.7166.665.4-83.2000109.1V253 K273 V304 V310Y251-V253 HydrophobicContact CD2-CG2 3.88Å; Y251-V253 HydrophobicContact CE2-CG2 3.55Å; Y251-K273 HydrophobicContact CD2-CG 4.13Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4Å; Y251-V304 HydrophobicContact CD1-CB 4.27Å; Y251-V304 HydrophobicContact CD2-CB 4.26Å; Y251-V304 HydrophobicContact CD2-CG2 4.34Å; Y251-V304 HydrophobicContact CE1-CB 3.94Å; Y251-V304 HydrophobicContact CE1-CG1 3.86Å; Y251-V304 HydrophobicContact CE2-CB 3.95Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 3.97Å; Y251-V304 HydrophobicContact CG-CB 4.42Å; Y251-V304 PolarHBondContact N-O 3.23Å; Y251-V304 VanDerWaalsContact N-O 3.15Å; Y251-V304 PolarHBondContact O-N 2.84Å; Y251-V310 HydrophobicContact CE2-CG2 4.48Å
252F93.4Very high73.4Confident19 Ų1989.5 Ų89.58%0.08345%0.445CS..EExtended strand (participates in β ladder)trans-116.2151.9177.4-59.7-98.2000110.6I274 V276 W285 I301 I302 R303F252-I274 PolarHBondContact N-O 3.18Å; F252-I274 PolarHBondContact O-N 2.91Å; F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.54Å; F252-V276 HydrophobicContact CE2-CB 3.99Å; F252-V276 HydrophobicContact CE2-CG2 3.62Å; F252-V276 HydrophobicContact CG-CG2 4.03Å; F252-V276 HydrophobicContact CZ-CG2 4.15Å; F252-W285 HydrophobicContact CE1-CZ3 4.04Å; F252-W285 HydrophobicContact CZ-CZ3 4.24Å; F252-I301 HydrophobicContact CB-CB 4.41Å; F252-I301 HydrophobicContact CB-CD1 3.94Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.39Å; F252-I301 HydrophobicContact CE1-CD1 4.23Å; F252-I301 HydrophobicContact CG-CD1 3.89Å; F252-I302 CarbonylContact C-O 3.53Å; F252-I302 VanDerWaalsContact CA-O 3.26Å; F252-I302 WeakPolarHBondContact CA-O 3.46Å; F252-R303 HydrophobicContact CD1-CB 3.79Å; F252-R303 HydrophobicContact CD1-CG 4.36Å; F252-R303 HydrophobicContact CE1-CB 3.62Å; F252-R303 HydrophobicContact CE1-CG 3.96Å; F252-R303 HydrophobicContact CZ-CB 4.46Å; F252-R303 HydrophobicContact CZ-CG 4.33Å
253V94.6Very high76Confident0 Ų089.9 Ų89.90%045%0.447CS..EExtended strand (participates in β ladder)trans-128.3141.4175.6176.80000110.4Y251 L255 E272 K273 I301 I302 V304 V310 I333Y251-V253 HydrophobicContact CD2-CG2 3.88Å; Y251-V253 HydrophobicContact CE2-CG2 3.55Å; V253-L255 PolarHBondContact O-N 3.25Å; V253-E272 CarbonylContact C-O 3.45Å; V253-E272 VanDerWaalsContact CA-O 3.3Å; V253-E272 WeakPolarHBondContact CA-O 3.15Å; V253-K273 HydrophobicContact CG2-CG 3.91Å; V253-I301 CarbonylContact O-C 3.53Å; V253-I301 VanDerWaalsContact O-CA 3.25Å; V253-I301 WeakPolarHBondContact O-CA 3.47Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 3.4Å; V253-I302 PolarHBondContact O-N 3.47Å; V253-V304 HydrophobicContact CB-CG2 4.33Å; V253-V304 HydrophobicContact CG2-CG2 3.85Å; V253-V310 HydrophobicContact CB-CG1 4.47Å; V253-V310 HydrophobicContact CG1-CG1 4.15Å; V253-V310 HydrophobicContact CG2-CG1 4.4Å; V253-V310 HydrophobicContact CG2-CG2 4.25Å; V253-I333 HydrophobicContact CG1-CG2 4.1Å
254A95.4Very high78Confident0 Ų088.3 Ų88.30%044%0.443CS..EExtended strand (participates in β ladder)trans-65.9122.6173.700000112.3F268 P269 G271 E272 I274A254-F268 HydrophobicContact CB-CD2 3.37Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; A254-P269 WeakPolarHBondContact CB-O 3.35Å; A254-G271 PolarHBondContact O-N 3.08Å; A254-E272 HydrophobicContact CB-CB 4.33Å; A254-E272 PolarHBondContact N-O 3.49Å; A254-I274 HydrophobicContact CB-CD1 4.21Å
255L93.1Very high80.7Confident11 Ų1183.4 Ų83.46%0.05841%0.41CS..SBendtrans-80.3-28.5171.5-70.3177.6000112.9V253 F300 I302 I333V253-L255 PolarHBondContact O-N 3.25Å; L255-F300 PolarHBondContact N-O 2.88Å; L255-I302 HydrophobicContact CD1-CB 4.06Å; L255-I302 HydrophobicContact CD2-CB 3.83Å; L255-I302 HydrophobicContact CD2-CD1 4.1Å; L255-I302 HydrophobicContact CD2-CG2 3.68Å; L255-I302 HydrophobicContact CG-CB 3.87Å; L255-I302 HydrophobicContact CG-CG2 4.05Å; L255-I333 HydrophobicContact CD2-CB 4.25Å; L255-I333 WeakPolarHBondContact CD2-O 3.4Å
256Y92.4Very high83.4Confident81 Ų8180.3 Ų80.332%0.31838%0.377SS..SBendtrans-139.3156.8-173.3-54.2-61.2000110.8F258 F300Y256-F258 PolarHBondContact O-N 3.31Å; Y256-F300 HydrophobicContact CD2-CD1 4.41Å; Y256-F300 HydrophobicContact CD2-CG 4.48Å
257R93.3Very high85.8Confident101 Ų10177.1 Ų77.138%0.38137%0.366SS..  trans-64.7113.2168178.467.5-178.3131.1-4.7109.2K259 D267 F268R257-K259 HydrophobicContact CG-CG 4.16Å; R257-D267 IonicContact CZ-OD1 3.81Å; R257-D267 IonicContact CZ-OD2 3.84Å; R257-D267 VanDerWaalsContact CZ-OD2 3.27Å; R257-D267 IonicContact NH1-OD1 2.77Å; R257-D267 PolarHBondContact NH1-OD1 3.2Å; R257-D267 IonicContact NH1-OD2 3.21Å; R257-D267 PolarHBondContact NH1-OD2 2.61Å; R257-D267 IonicContact NH2-OD1 2.76Å; R257-D267 PolarHBondContact NH2-OD1 3.16Å; R257-D267 IonicContact NH2-OD2 3.78Å; R257-D267 PolarHBondContact NH2-OD2 3.35Å; R257-F268 WeakPolarHBondContact CD-O 3.4Å; R257-F268 VanDerWaalsContact NH1-N 3.13Å; R257-F268 PolarHBondContact NH1-O 3.42Å
258F93.7Very high88.2Confident19 Ų1969.4 Ų69.48%0.08333%0.33CS..BIsolated β-bridgetrans-95.9128.8160.8-173.3-124.7000108.2Y256 D265 L266 F268 W284 F296 P297 F300Y256-F258 PolarHBondContact O-N 3.31Å; F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.41Å; F258-L266 WeakPolarHBondContact CD1-O 3.5Å; F258-F268 HydrophobicContact CB-CD1 4.43Å; F258-F268 HydrophobicContact CB-CD2 4.08Å; F258-F268 HydrophobicContact CB-CE1 4Å; F258-F268 HydrophobicContact CB-CE2 3.61Å; F258-F268 HydrophobicContact CB-CG 4.47Å; F258-F268 HydrophobicContact CB-CZ 3.56Å; F258-F268 HydrophobicContact CD1-CE1 4.09Å; F258-F268 HydrophobicContact CD1-CZ 4.34Å; F258-F268 HydrophobicContact CG-CE1 4.48Å; F258-F268 HydrophobicContact CG-CZ 4.3Å; F258-F268 PolarHBondContact N-O 3.26Å; F258-F268 VanDerWaalsContact N-O 3.14Å; F258-F268 PolarHBondContact O-N 3.31Å; F258-F268 VanDerWaalsContact O-N 3.17Å; F258-F268 VanDerWaalsContact O-O 3.06Å; F258-W284 HydrophobicContact CZ-CH2 4.23Å; F258-W284 AromaticContact CZ-CZ3 3.89Å; F258-W284 HydrophobicContact CZ-CZ3 3.89Å; F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.81Å; F258-F296 HydrophobicContact CG-CB 4.48Å; F258-P297 HydrophobicContact CE2-CG 4.39Å; F258-F300 HydrophobicContact CB-CD1 3.88Å; F258-F300 HydrophobicContact CB-CE1 4.27Å; F258-F300 HydrophobicContact CD2-CD1 4.39Å; F258-F300 HydrophobicContact CD2-CE1 4.21Å
259K92.7Very high90.3Very high142 Ų14263 Ų6362%0.61730%0.304SS*.  trans-104.7129.7173.5-71.4-173.4178-175.50107.7R257 L261 D267R257-K259 HydrophobicContact CG-CG 4.16Å; K259-L261 PolarHBondContact O-N 3.39Å; K259-D267 WeakPolarHBondContact CA-OD2 3.37Å
260A92.6Very high91.9Very high41 Ų4163.4 Ų63.434%0.33931%0.306SS..  trans-61.3134.3173.100000111D265 D267A260-D265 HydrophobicContact CB-CB 3.52Å; A260-D267 HydrophobicContact CB-CB 3.86Å; A260-D267 PolarHBondContact N-OD2 3.39Å
261L89.4Confident92.8Very high158 Ų15861.9 Ų61.983%0.82730%0.303SS*.  trans-108.7-42.6172.1-60178000109.8K259 D265K259-L261 PolarHBondContact O-N 3.39Å; L261-D265 PolarHBondContact N-OD2 3.42Å
262E90.9Very high93Very high145 Ų14561.5 Ų61.568%0.67830%0.304SS*.SBendtrans-96.2168.7173.8-60.4-164.5-175.800112.1D264 D265E262-D264 VanDerWaalsContact C-N 3.27Å; E262-D264 PolarHBondContact O-N 2.87Å; E262-D265 PolarHBondContact N-OD2 3.47Å; E262-D265 PolarHBondContact O-N 2.99Å
263K88.6Confident93Very high211 Ų21165 Ų6592%0.91732%0.319SS*.THydrogen-bonded Turntrans-71-25.7-179.9-68177.7-177.9175.50112.9
264D91.8Very high92.9Very high96 Ų9665 Ų6551%0.51332%0.319SS..THydrogen-bonded Turntrans-97.15-179-61.9-77000112.6E262 G294 F295E262-D264 VanDerWaalsContact C-N 3.27Å; E262-D264 PolarHBondContact O-N 2.87Å; D264-G294 CarbonylContact O-C 3.58Å; D264-G294 WeakPolarHBondContact O-CA 3.26Å; D264-F295 HydrophobicContact CB-CD2 4.21Å; D264-F295 HydrophobicContact CB-CE2 4.49Å; D264-F295 PolarHBondContact O-N 3.21Å
265D93.4Very high92.8Very high20 Ų2069.4 Ų69.411%0.10735%0.346CS..BIsolated β-bridgetrans-77.7143.1172.7-84.4-33.6000112.3F258 A260 L261 E262 D267 W284F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.41Å; A260-D265 HydrophobicContact CB-CB 3.52Å; L261-D265 PolarHBondContact N-OD2 3.42Å; E262-D265 PolarHBondContact N-OD2 3.47Å; E262-D265 PolarHBondContact O-N 2.99Å; D265-D267 PolarHBondContact O-N 3.22Å; D265-W284 WeakPolarHBondContact OD1-CZ3 3.44Å
266L93.4Very high92.8Very high2 Ų270.2 Ų70.21%0.0135%0.351CS..  trans-90.992.2178.4-17068000112F258 F268 I274 I289 K292 F295 F296F258-L266 WeakPolarHBondContact CD1-O 3.5Å; L266-F268 HydrophobicContact CB-CD1 4.37Å; L266-F268 HydrophobicContact CD2-CD1 4.13Å; L266-F268 HydrophobicContact CD2-CE1 4.37Å; L266-F268 HydrophobicContact CG-CD1 4.03Å; L266-F268 WeakPolarHBondContact O-CD1 3.43Å; L266-F268 WeakPolarHBondContact O-CE1 3.43Å; L266-F268 PolarHBondContact O-N 3.28Å; L266-I274 HydrophobicContact CD2-CG2 4.14Å; L266-I289 HydrophobicContact CD1-CD1 4.21Å; L266-I289 HydrophobicContact CD1-CG1 4.39Å; L266-I289 HydrophobicContact CD2-CD1 3.75Å; L266-I289 HydrophobicContact CD2-CG1 4.04Å; L266-I289 HydrophobicContact CG-CD1 3.85Å; L266-I289 HydrophobicContact CG-CG1 4.41Å; L266-K292 HydrophobicContact CD1-CB 4Å; L266-F295 PolarHBondContact N-O 3.38Å; L266-F296 HydrophobicContact CB-CD1 4.2Å; L266-F296 HydrophobicContact CD2-CD1 3.7Å; L266-F296 HydrophobicContact CD2-CE1 3.93Å
267D93.6Very high92.8Very high52 Ų5271.1 Ų71.128%0.27836%0.361SS..  trans-65.5118.1176-173.9-86000112.8R257 K259 A260 D265R257-D267 IonicContact CZ-OD1 3.81Å; R257-D267 IonicContact CZ-OD2 3.84Å; R257-D267 VanDerWaalsContact CZ-OD2 3.27Å; R257-D267 IonicContact NH1-OD1 2.77Å; R257-D267 PolarHBondContact NH1-OD1 3.2Å; R257-D267 IonicContact NH1-OD2 3.21Å; R257-D267 PolarHBondContact NH1-OD2 2.61Å; R257-D267 IonicContact NH2-OD1 2.76Å; R257-D267 PolarHBondContact NH2-OD1 3.16Å; R257-D267 IonicContact NH2-OD2 3.78Å; R257-D267 PolarHBondContact NH2-OD2 3.35Å; K259-D267 WeakPolarHBondContact CA-OD2 3.37Å; A260-D267 HydrophobicContact CB-CB 3.86Å; A260-D267 PolarHBondContact N-OD2 3.39Å; D265-D267 PolarHBondContact O-N 3.22Å
268F94.9Very high92.6Very high0 Ų069.5 Ų69.50%036%0.359CS..BIsolated β-bridgetrans-144.7144.8177.856.5-107.3000115.9A254 R257 F258 L266 E272 I274 I289 F296 F300 I301A254-F268 HydrophobicContact CB-CD2 3.37Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; R257-F268 WeakPolarHBondContact CD-O 3.4Å; R257-F268 VanDerWaalsContact NH1-N 3.13Å; R257-F268 PolarHBondContact NH1-O 3.42Å; F258-F268 HydrophobicContact CB-CD1 4.43Å; F258-F268 HydrophobicContact CB-CD2 4.08Å; F258-F268 HydrophobicContact CB-CE1 4Å; F258-F268 HydrophobicContact CB-CE2 3.61Å; F258-F268 HydrophobicContact CB-CG 4.47Å; F258-F268 HydrophobicContact CB-CZ 3.56Å; F258-F268 HydrophobicContact CD1-CE1 4.09Å; F258-F268 HydrophobicContact CD1-CZ 4.34Å; F258-F268 HydrophobicContact CG-CE1 4.48Å; F258-F268 HydrophobicContact CG-CZ 4.3Å; F258-F268 PolarHBondContact N-O 3.26Å; F258-F268 VanDerWaalsContact N-O 3.14Å; F258-F268 PolarHBondContact O-N 3.31Å; F258-F268 VanDerWaalsContact O-N 3.17Å; F258-F268 VanDerWaalsContact O-O 3.06Å; L266-F268 HydrophobicContact CB-CD1 4.37Å; L266-F268 HydrophobicContact CD2-CD1 4.13Å; L266-F268 HydrophobicContact CD2-CE1 4.37Å; L266-F268 HydrophobicContact CG-CD1 4.03Å; L266-F268 WeakPolarHBondContact O-CD1 3.43Å; L266-F268 WeakPolarHBondContact O-CE1 3.43Å; L266-F268 PolarHBondContact O-N 3.28Å; F268-E272 HydrophobicContact CB-CB 4.17Å; F268-E272 HydrophobicContact CB-CG 4.28Å; F268-I274 HydrophobicContact CB-CD1 4.41Å; F268-I274 HydrophobicContact CD1-CD1 3.5Å; F268-I274 VanDerWaalsContact CD1-CD1 3.5Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.58Å; F268-I274 HydrophobicContact CE2-CD1 4.02Å; F268-I274 HydrophobicContact CG-CD1 3.71Å; F268-I274 HydrophobicContact CZ-CD1 3.84Å; F268-I289 HydrophobicContact CB-CD1 3.48Å; F268-I289 VanDerWaalsContact CB-CD1 3.48Å; F268-I289 HydrophobicContact CD1-CD1 3.85Å; F268-I289 HydrophobicContact CG-CD1 4.03Å; F268-F296 HydrophobicContact CE1-CB 3.64Å; F268-F296 HydrophobicContact CE1-CD1 4.03Å; F268-F296 HydrophobicContact CE1-CD2 4.02Å; F268-F296 AromaticContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CZ-CB 4.03Å; F268-F296 AromaticContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CG 4.02Å; F268-F300 HydrophobicContact CE2-CB 4.34Å; F268-F300 HydrophobicContact CZ-CB 4.16Å; F268-I301 HydrophobicContact CZ-CG2 4.36Å
269P94.6Very high92.5Very high56 Ų5673 Ų7336%0.36438%0.379SS..  trans-79.2162.4172.633.6-34.7000112.4A254 E272A254-P269 WeakPolarHBondContact CB-O 3.35Å; P269-E272 HydrophobicContact CG-CB 4.08Å; P269-E272 HydrophobicContact CG-CG 4.46Å; P269-E272 WeakPolarHBondContact CG-OE2 3.42Å; P269-E272 WeakPolarHBondContact O-CB 3.37Å; P269-E272 PolarHBondContact O-N 2.97Å
270P94.4Very high92.4Very high50 Ų5071.4 Ų71.433%0.32539%0.386SS..THydrogen-bonded Turntrans-64.4135.5169.429.2-33.9000110.2I333P270-I333 HydrophobicContact CB-CD1 4.32Å; P270-I333 HydrophobicContact CB-CG1 3.83Å
271G92.8Very high92.2Very high13 Ų1373.1 Ų73.113%0.13439%0.389CS..THydrogen-bonded Turntrans96.4-11.9-175.200000114.7A254A254-G271 PolarHBondContact O-N 3.08Å
272E94.5Very high92.1Very high75 Ų7574.2 Ų74.235%0.3539%0.39SS..  trans-65.9139.3179-159.163.6-159.500111.9V253 A254 F268 P269 I289V253-E272 CarbonylContact C-O 3.45Å; V253-E272 VanDerWaalsContact CA-O 3.3Å; V253-E272 WeakPolarHBondContact CA-O 3.15Å; A254-E272 HydrophobicContact CB-CB 4.33Å; A254-E272 PolarHBondContact N-O 3.49Å; F268-E272 HydrophobicContact CB-CB 4.17Å; F268-E272 HydrophobicContact CB-CG 4.28Å; P269-E272 HydrophobicContact CG-CB 4.08Å; P269-E272 HydrophobicContact CG-CG 4.46Å; P269-E272 WeakPolarHBondContact CG-OE2 3.42Å; P269-E272 WeakPolarHBondContact O-CB 3.37Å; P269-E272 PolarHBondContact O-N 2.97Å; E272-I289 HydrophobicContact CG-CD1 4.02Å; E272-I289 HydrophobicContact CG-CG1 4.48Å; E272-I289 HydrophobicContact CG-CG2 3.75Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.47Å
273K93Very high92Very high92 Ų9274.2 Ų74.240%0.439%0.39SS..EExtended strand (participates in β ladder)trans-89.7120.3-179.5-75.7159.6179.5161.40109.8Y251 V253 I364Y251-K273 HydrophobicContact CD2-CG 4.13Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4Å; V253-K273 HydrophobicContact CG2-CG 3.91Å; K273-I364 PolarHBondContact NZ-O 3.37Å; K273-I364 PolarHBondContact NZ-OXT 3.46Å
274I93.5Very high92.1Very high1 Ų169.1 Ų69.11%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-118.8129.4-169.4-49.6-169.9000110.3F252 A254 L266 F268 I289 F296 I301F252-I274 PolarHBondContact N-O 3.18Å; F252-I274 PolarHBondContact O-N 2.91Å; A254-I274 HydrophobicContact CB-CD1 4.21Å; L266-I274 HydrophobicContact CD2-CG2 4.14Å; F268-I274 HydrophobicContact CB-CD1 4.41Å; F268-I274 HydrophobicContact CD1-CD1 3.5Å; F268-I274 VanDerWaalsContact CD1-CD1 3.5Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.58Å; F268-I274 HydrophobicContact CE2-CD1 4.02Å; F268-I274 HydrophobicContact CG-CD1 3.71Å; F268-I274 HydrophobicContact CZ-CD1 3.84Å; I274-I289 HydrophobicContact CB-CG1 4.31Å; I274-I289 HydrophobicContact CD1-CD1 3.86Å; I274-I289 HydrophobicContact CG1-CD1 3.74Å; I274-I289 HydrophobicContact CG1-CG1 3.91Å; I274-I289 HydrophobicContact CG2-CD1 4.49Å; I274-I289 HydrophobicContact CG2-CG1 4.18Å; I274-F296 HydrophobicContact CG2-CE1 4.08Å; I274-F296 HydrophobicContact CG2-CZ 4.16Å; I274-I301 HydrophobicContact CD1-CG2 3.84Å
275T92.8Very high92.2Very high91 Ų9167 Ų6756%0.55835%0.35SS*.EExtended strand (participates in β ladder)trans-94.5113.2169.2-59.40000108.8G287 K288T275-G287 CarbonylContact O-C 3.51Å; T275-G287 WeakPolarHBondContact O-CA 3.39Å; T275-K288 PolarHBondContact N-O 3.24Å; T275-K288 PolarHBondContact O-N 3.3Å
276V92.8Very high92.2Very high28 Ų2870.8 Ų70.817%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-70.4134.7170.3178.70000108.7F252 D279 W285 F296 I301F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.54Å; F252-V276 HydrophobicContact CE2-CB 3.99Å; F252-V276 HydrophobicContact CE2-CG2 3.62Å; F252-V276 HydrophobicContact CG-CG2 4.03Å; F252-V276 HydrophobicContact CZ-CG2 4.15Å; V276-D279 HydrophobicContact CG1-CB 4.21Å; V276-W285 HydrophobicContact CG1-CE3 4.05Å; V276-W285 HydrophobicContact CG2-CE3 3.86Å; V276-W285 HydrophobicContact CG2-CZ3 4.26Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; V276-I301 HydrophobicContact CG2-CD1 4.03Å
277I91.9Very high92.2Very high101 Ų10170.7 Ų70.752%0.51836%0.362SS..EExtended strand (participates in β ladder)trans-108.7-36.6177.2-67.4177.2000110.4R286 K288 V293I277-R286 PolarHBondContact N-O 3.5Å; I277-K288 HydrophobicContact CD1-CB 3.63Å; I277-K288 HydrophobicContact CD1-CD 4.21Å; I277-K288 HydrophobicContact CG1-CB 4.33Å; I277-V293 HydrophobicContact CD1-CG1 4.36Å
278D90.2Very high92.2Very high66 Ų6672.5 Ų72.535%0.35337%0.368SS..EExtended strand (participates in β ladder)trans-144.2118.3-175.6-170.2-4.8000109.8S280 W285 R286D278-S280 WeakPolarHBondContact OD1-CB 3.32Å; D278-S280 PolarHBondContact OD1-N 3.16Å; D278-S280 PolarHBondContact OD1-OG 3.48Å; D278-W285 WeakPolarHBondContact O-CA 3.19Å; D278-R286 HydrophobicContact CB-CB 3.8Å; D278-R286 PolarHBondContact N-O 2.76Å; D278-R286 VanDerWaalsContact N-O 3.13Å; D278-R286 PolarHBondContact O-N 3.17Å
279D91.3Very high92.1Very high94 Ų9473.6 Ų73.650%0.50337%0.373SS..  trans-111.71417657.3-12.1000112.9V276 N281 W285V276-D279 HydrophobicContact CG1-CB 4.21Å; D279-N281 PolarHBondContact O-N 2.84Å; D279-W285 HydrophobicContact CB-CD2 3.85Å; D279-W285 HydrophobicContact CB-CE3 4.34Å; D279-W285 HydrophobicContact CB-CG 4.26Å; D279-W285 HydrophobicContact CB-CH2 4.36Å; D279-W285 HydrophobicContact CB-CZ2 3.85Å
280S89.8Confident91.9Very high107 Ų10774.1 Ų74.175%0.74839%0.388SS*.  trans-65.8-8.9-175.1-510000115.6D278D278-S280 WeakPolarHBondContact OD1-CB 3.32Å; D278-S280 PolarHBondContact OD1-N 3.16Å; D278-S280 PolarHBondContact OD1-OG 3.48Å
281N88Confident91.6Very high77 Ų7780.7 Ų80.741%0.41242%0.415SS..SBendtrans-123.2127.1-179174.8-17.7000109.1D279 E283 W284 W285D279-N281 PolarHBondContact O-N 2.84Å; N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 3.23Å; N281-E283 PolarHBondContact OD1-N 3.16Å; N281-W284 WeakPolarHBondContact CB-O 3.34Å; N281-W284 PolarHBondContact OD1-N 3.48Å; N281-W285 PolarHBondContact O-NE1 2.91Å; N281-W285 VanDerWaalsContact O-NE1 3.14Å
282E87.3Confident91.6Very high182 Ų18286.1 Ų86.185%0.8544%0.435SS*.SBendtrans-70.5-21-175.5-60.4-169.8172.100114.1P298E282-P298 WeakPolarHBondContact O-CG 3.39Å
283E88.8Confident91.5Very high144 Ų14485.6 Ų85.667%0.67344%0.436SS*.SBendtrans-96.8-32.8-174.9-59.8-175.9139.200112.5N281 P298N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 3.23Å; N281-E283 PolarHBondContact OD1-N 3.16Å; E283-P298 WeakPolarHBondContact O-CD 3.26Å
284W91.6Very high91.6Very high104 Ų10481.2 Ų81.239%0.39442%0.418SS..  trans-139.3111.7-174.1-69.294.9000111.9F258 D265 N281 F295 P297F258-W284 HydrophobicContact CZ-CH2 4.23Å; F258-W284 AromaticContact CZ-CZ3 3.89Å; F258-W284 HydrophobicContact CZ-CZ3 3.89Å; D265-W284 WeakPolarHBondContact OD1-CZ3 3.44Å; N281-W284 WeakPolarHBondContact CB-O 3.34Å; N281-W284 PolarHBondContact OD1-N 3.48Å; W284-F295 HydrophobicContact CE3-CB 4Å; W284-P297 HydrophobicContact CE3-CG 4.46Å; W284-P297 HydrophobicContact CH2-CG 4.39Å; W284-P297 HydrophobicContact CZ3-CG 4.2Å
285W94.5Very high91.6Very high52 Ų5284.6 Ų84.620%0.19743%0.432CS..EExtended strand (participates in β ladder)trans-94.5145.4174.6-74.87.7000110.8F252 V276 D278 D279 N281 F295 F296 P298 I301F252-W285 HydrophobicContact CE1-CZ3 4.04Å; F252-W285 HydrophobicContact CZ-CZ3 4.24Å; V276-W285 HydrophobicContact CG1-CE3 4.05Å; V276-W285 HydrophobicContact CG2-CE3 3.86Å; V276-W285 HydrophobicContact CG2-CZ3 4.26Å; D278-W285 WeakPolarHBondContact O-CA 3.19Å; D279-W285 HydrophobicContact CB-CD2 3.85Å; D279-W285 HydrophobicContact CB-CE3 4.34Å; D279-W285 HydrophobicContact CB-CG 4.26Å; D279-W285 HydrophobicContact CB-CH2 4.36Å; D279-W285 HydrophobicContact CB-CZ2 3.85Å; N281-W285 PolarHBondContact O-NE1 2.91Å; N281-W285 VanDerWaalsContact O-NE1 3.14Å; W285-F295 CarbonylContact O-C 3.59Å; W285-F295 VanDerWaalsContact O-CA 3.28Å; W285-F295 WeakPolarHBondContact O-CA 3.48Å; W285-F296 HydrophobicContact CB-CE1 4.47Å; W285-F296 HydrophobicContact CB-CE2 4.29Å; W285-F296 HydrophobicContact CB-CZ 4.07Å; W285-F296 PolarHBondContact N-O 2.94Å; W285-F296 WeakPolarHBondContact O-CD1 3.34Å; W285-F296 PolarHBondContact O-N 2.98Å; W285-P298 HydrophobicContact CD2-CB 3.66Å; W285-P298 HydrophobicContact CD2-CG 4.36Å; W285-P298 HydrophobicContact CE3-CB 4.02Å; W285-P298 HydrophobicContact CG-CB 4.01Å; W285-P298 HydrophobicContact CG-CG 4.32Å; W285-P298 HydrophobicContact CH2-CB 4.41Å; W285-P298 HydrophobicContact CZ2-CB 4.1Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; W285-I301 HydrophobicContact CE3-CD1 3.83Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å
286R92.7Very high91.7Very high100 Ų10080.2 Ų80.238%0.37741%0.406SS..EExtended strand (participates in β ladder)trans-97.1132.2173-148.7-179.6-170.2-167.83110I277 D278 V293 G294 F295I277-R286 PolarHBondContact N-O 3.5Å; D278-R286 HydrophobicContact CB-CB 3.8Å; D278-R286 PolarHBondContact N-O 2.76Å; D278-R286 VanDerWaalsContact N-O 3.13Å; D278-R286 PolarHBondContact O-N 3.17Å; R286-V293 HydrophobicContact CG-CG1 4.37Å; R286-G294 WeakPolarHBondContact CA-O 3.42Å; R286-G294 WeakPolarHBondContact CG-O 3.33Å; R286-F295 HydrophobicContact CB-CD1 3.88Å; R286-F295 HydrophobicContact CB-CE1 3.75Å; R286-F295 HydrophobicContact CG-CD1 3.89Å; R286-F295 HydrophobicContact CG-CE1 3.68Å; R286-F295 HydrophobicContact CG-CE2 4.47Å; R286-F295 HydrophobicContact CG-CG 4.38Å; R286-F295 HydrophobicContact CG-CZ 4Å
287G93.8Very high91.7Very high0 Ų080.1 Ų80.10%041%0.406CS..EExtended strand (participates in β ladder)trans-146.4178177.100000113.7T275 V293 G294T275-G287 CarbonylContact O-C 3.51Å; T275-G287 WeakPolarHBondContact O-CA 3.39Å; G287-V293 WeakPolarHBondContact O-CA 3.12Å; G287-G294 PolarHBondContact N-O 3.26Å; G287-G294 PolarHBondContact O-N 2.98Å; G287-G294 VanDerWaalsContact O-N 3.08Å
288K93.6Very high91.7Very high90 Ų9076.4 Ų76.439%0.39139%0.388SS..EExtended strand (participates in β ladder)trans-135.3138.1-173.3179.5168.4-178.9171.60111.8T275 I277 G290 K292 V293T275-K288 PolarHBondContact N-O 3.24Å; T275-K288 PolarHBondContact O-N 3.3Å; I277-K288 HydrophobicContact CD1-CB 3.63Å; I277-K288 HydrophobicContact CD1-CD 4.21Å; I277-K288 HydrophobicContact CG1-CB 4.33Å; K288-G290 WeakPolarHBondContact CE-O 3.32Å; K288-K292 CarbonylContact C-O 3.5Å; K288-K292 VanDerWaalsContact CA-O 3.23Å; K288-K292 WeakPolarHBondContact CA-O 3.35Å; K288-K292 WeakPolarHBondContact CG-O 3.43Å; K288-V293 HydrophobicContact CB-CG2 4.04Å; K288-V293 HydrophobicContact CD-CG2 3.87Å; K288-V293 HydrophobicContact CG-CG2 3.88Å
289I93.3Very high91.8Very high23 Ų2378.5 Ų78.512%0.11840%0.399CS..EExtended strand (participates in β ladder)trans-136.3110177.7-60.6167.9000107.2L266 F268 E272 I274 E291 K292L266-I289 HydrophobicContact CD1-CD1 4.21Å; L266-I289 HydrophobicContact CD1-CG1 4.39Å; L266-I289 HydrophobicContact CD2-CD1 3.75Å; L266-I289 HydrophobicContact CD2-CG1 4.04Å; L266-I289 HydrophobicContact CG-CD1 3.85Å; L266-I289 HydrophobicContact CG-CG1 4.41Å; F268-I289 HydrophobicContact CB-CD1 3.48Å; F268-I289 VanDerWaalsContact CB-CD1 3.48Å; F268-I289 HydrophobicContact CD1-CD1 3.85Å; F268-I289 HydrophobicContact CG-CD1 4.03Å; E272-I289 HydrophobicContact CG-CD1 4.02Å; E272-I289 HydrophobicContact CG-CG1 4.48Å; E272-I289 HydrophobicContact CG-CG2 3.75Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.47Å; I274-I289 HydrophobicContact CB-CG1 4.31Å; I274-I289 HydrophobicContact CD1-CD1 3.86Å; I274-I289 HydrophobicContact CG1-CD1 3.74Å; I274-I289 HydrophobicContact CG1-CG1 3.91Å; I274-I289 HydrophobicContact CG2-CD1 4.49Å; I274-I289 HydrophobicContact CG2-CG1 4.18Å; I289-E291 PolarHBondContact O-N 2.96Å; I289-E291 VanDerWaalsContact O-N 3.1Å; I289-K292 PolarHBondContact N-O 3.26Å; I289-K292 PolarHBondContact O-N 3.01Å
290G88.8Confident91.8Very high66 Ų6676.9 Ų76.968%0.6839%0.388SS*.THydrogen-bonded Turntrans56.8-114.7-168.300000110.6K288K288-G290 WeakPolarHBondContact CE-O 3.32Å
291E89.8Confident92Very high188 Ų18872.5 Ų72.588%0.87936%0.356SS*.THydrogen-bonded Turntrans-94.5-20.1175.8-60.9-174.7143.900113.7I289I289-E291 PolarHBondContact O-N 2.96Å; I289-E291 VanDerWaalsContact O-N 3.1Å
292K92.1Very high92.2Very high128 Ų12869.2 Ų69.256%0.55734%0.338SS*.EExtended strand (participates in β ladder)trans-70.4134.5-178.3-63.8-179.2179.8178.90110.4L266 K288 I289L266-K292 HydrophobicContact CD1-CB 4Å; K288-K292 CarbonylContact C-O 3.5Å; K288-K292 VanDerWaalsContact CA-O 3.23Å; K288-K292 WeakPolarHBondContact CA-O 3.35Å; K288-K292 WeakPolarHBondContact CG-O 3.43Å; I289-K292 PolarHBondContact N-O 3.26Å; I289-K292 PolarHBondContact O-N 3.01Å
293V93.1Very high92.4Very high63 Ų6366.1 Ų66.138%0.38232%0.319SS..EExtended strand (participates in β ladder)trans-128.9137.6174.4-178.60000108.3I277 R286 G287 K288I277-V293 HydrophobicContact CD1-CG1 4.36Å; R286-V293 HydrophobicContact CG-CG1 4.37Å; G287-V293 WeakPolarHBondContact O-CA 3.12Å; K288-V293 HydrophobicContact CB-CG2 4.04Å; K288-V293 HydrophobicContact CD-CG2 3.87Å; K288-V293 HydrophobicContact CG-CG2 3.88Å
294G94.1Very high92.6Very high1 Ų159.3 Ų59.31%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-176.5-178.9179.500000113.1D264 R286 G287D264-G294 CarbonylContact O-C 3.58Å; D264-G294 WeakPolarHBondContact O-CA 3.26Å; R286-G294 WeakPolarHBondContact CA-O 3.42Å; R286-G294 WeakPolarHBondContact CG-O 3.33Å; G287-G294 PolarHBondContact N-O 3.26Å; G287-G294 PolarHBondContact O-N 2.98Å; G287-G294 VanDerWaalsContact O-N 3.08Å
295F94Very high92.5Very high71 Ų7160.7 Ų60.731%0.31129%0.292SS..EExtended strand (participates in β ladder)trans-93.9153179.1-62.3-80.8000112.2D264 L266 W284 W285 R286D264-F295 HydrophobicContact CB-CD2 4.21Å; D264-F295 HydrophobicContact CB-CE2 4.49Å; D264-F295 PolarHBondContact O-N 3.21Å; L266-F295 PolarHBondContact N-O 3.38Å; W284-F295 HydrophobicContact CE3-CB 4Å; W285-F295 CarbonylContact O-C 3.59Å; W285-F295 VanDerWaalsContact O-CA 3.28Å; W285-F295 WeakPolarHBondContact O-CA 3.48Å; R286-F295 HydrophobicContact CB-CD1 3.88Å; R286-F295 HydrophobicContact CB-CE1 3.75Å; R286-F295 HydrophobicContact CG-CD1 3.89Å; R286-F295 HydrophobicContact CG-CE1 3.68Å; R286-F295 HydrophobicContact CG-CE2 4.47Å; R286-F295 HydrophobicContact CG-CG 4.38Å; R286-F295 HydrophobicContact CG-CZ 4Å
296F94.7Very high92Very high0 Ų063.5 Ų63.50%032%0.315CS..EExtended strand (participates in β ladder)trans-161.2160.8171.963.2-86.3000110.9F258 L266 F268 I274 V276 W285 I301F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.81Å; F258-F296 HydrophobicContact CG-CB 4.48Å; L266-F296 HydrophobicContact CB-CD1 4.2Å; L266-F296 HydrophobicContact CD2-CD1 3.7Å; L266-F296 HydrophobicContact CD2-CE1 3.93Å; F268-F296 HydrophobicContact CE1-CB 3.64Å; F268-F296 HydrophobicContact CE1-CD1 4.03Å; F268-F296 HydrophobicContact CE1-CD2 4.02Å; F268-F296 AromaticContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CZ-CB 4.03Å; F268-F296 AromaticContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CG 4.02Å; I274-F296 HydrophobicContact CG2-CE1 4.08Å; I274-F296 HydrophobicContact CG2-CZ 4.16Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; W285-F296 HydrophobicContact CB-CE1 4.47Å; W285-F296 HydrophobicContact CB-CE2 4.29Å; W285-F296 HydrophobicContact CB-CZ 4.07Å; W285-F296 PolarHBondContact N-O 2.94Å; W285-F296 WeakPolarHBondContact O-CD1 3.34Å; W285-F296 PolarHBondContact O-N 2.98Å; F296-I301 HydrophobicContact CD2-CG2 4.14Å; F296-I301 HydrophobicContact CE2-CB 4.4Å; F296-I301 HydrophobicContact CE2-CD1 3.63Å; F296-I301 HydrophobicContact CE2-CG1 3.91Å; F296-I301 HydrophobicContact CE2-CG2 3.59Å; F296-I301 HydrophobicContact CZ-CD1 3.91Å; F296-I301 HydrophobicContact CZ-CG2 4.27Å
297P92.6Very high91.6Very high25 Ų2562.4 Ų62.416%0.16234%0.335CS..  trans-76.6132179.1-14.430.1000112.1F258 W284 N299 F300F258-P297 HydrophobicContact CE2-CG 4.39Å; W284-P297 HydrophobicContact CE3-CG 4.46Å; W284-P297 HydrophobicContact CH2-CG 4.39Å; W284-P297 HydrophobicContact CZ3-CG 4.2Å; P297-N299 PolarHBondContact O-N 3.09Å; P297-F300 HydrophobicContact CB-CD2 4.02Å; P297-F300 HydrophobicContact CB-CE2 4.44Å; P297-F300 HydrophobicContact CG-CD2 4.15Å; P297-F300 HydrophobicContact CG-CE2 4.29Å; P297-F300 WeakPolarHBondContact O-CB 3.34Å; P297-F300 PolarHBondContact O-N 3.07Å
298P91.6Very high91.4Very high23 Ų2363.9 Ų63.915%0.14934%0.342CS..G310 helixtrans-59.6-24.2-177.219.7-30.5000114.1E282 E283 W285 F300 I301E282-P298 WeakPolarHBondContact O-CG 3.39Å; E283-P298 WeakPolarHBondContact O-CD 3.26Å; W285-P298 HydrophobicContact CD2-CB 3.66Å; W285-P298 HydrophobicContact CD2-CG 4.36Å; W285-P298 HydrophobicContact CE3-CB 4.02Å; W285-P298 HydrophobicContact CG-CB 4.01Å; W285-P298 HydrophobicContact CG-CG 4.32Å; W285-P298 HydrophobicContact CH2-CB 4.41Å; W285-P298 HydrophobicContact CZ2-CB 4.1Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; P298-F300 PolarHBondContact O-N 2.76Å; P298-F300 VanDerWaalsContact O-N 3.1Å; P298-I301 VanDerWaalsContact O-CG1 3.25Å; P298-I301 WeakPolarHBondContact O-CG1 3.29Å; P298-I301 PolarHBondContact O-N 2.94Å
299N92.1Very high91.3Very high110 Ų11064.5 Ų64.559%0.58834%0.342SS*.G310 helixtrans-65-6.9174.9-77-74.6000115.1P297P297-N299 PolarHBondContact O-N 3.09Å
300F92.4Very high91.4Very high60 Ų6063.4 Ų63.426%0.26334%0.336SS..G310 helixtrans-94.6-6.1177.9-82.2-117.1000113.9L255 Y256 F258 F268 P297 P298L255-F300 PolarHBondContact N-O 2.88Å; Y256-F300 HydrophobicContact CD2-CD1 4.41Å; Y256-F300 HydrophobicContact CD2-CG 4.48Å; F258-F300 HydrophobicContact CB-CD1 3.88Å; F258-F300 HydrophobicContact CB-CE1 4.27Å; F258-F300 HydrophobicContact CD2-CD1 4.39Å; F258-F300 HydrophobicContact CD2-CE1 4.21Å; F268-F300 HydrophobicContact CE2-CB 4.34Å; F268-F300 HydrophobicContact CZ-CB 4.16Å; P297-F300 HydrophobicContact CB-CD2 4.02Å; P297-F300 HydrophobicContact CB-CE2 4.44Å; P297-F300 HydrophobicContact CG-CD2 4.15Å; P297-F300 HydrophobicContact CG-CE2 4.29Å; P297-F300 WeakPolarHBondContact O-CB 3.34Å; P297-F300 PolarHBondContact O-N 3.07Å; P298-F300 PolarHBondContact O-N 2.76Å; P298-F300 VanDerWaalsContact O-N 3.1Å
301I93.3Very high91.7Very high16 Ų1660.9 Ų60.98%0.08231%0.307CS..EExtended strand (participates in β ladder)trans-121.5164-17760.2165.2000112.9F252 V253 F268 I274 V276 W285 F296 P298F252-I301 HydrophobicContact CB-CB 4.41Å; F252-I301 HydrophobicContact CB-CD1 3.94Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.39Å; F252-I301 HydrophobicContact CE1-CD1 4.23Å; F252-I301 HydrophobicContact CG-CD1 3.89Å; V253-I301 CarbonylContact O-C 3.53Å; V253-I301 VanDerWaalsContact O-CA 3.25Å; V253-I301 WeakPolarHBondContact O-CA 3.47Å; F268-I301 HydrophobicContact CZ-CG2 4.36Å; I274-I301 HydrophobicContact CD1-CG2 3.84Å; V276-I301 HydrophobicContact CG2-CD1 4.03Å; W285-I301 HydrophobicContact CE3-CD1 3.83Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å; F296-I301 HydrophobicContact CD2-CG2 4.14Å; F296-I301 HydrophobicContact CE2-CB 4.4Å; F296-I301 HydrophobicContact CE2-CD1 3.63Å; F296-I301 HydrophobicContact CE2-CG1 3.91Å; F296-I301 HydrophobicContact CE2-CG2 3.59Å; F296-I301 HydrophobicContact CZ-CD1 3.91Å; F296-I301 HydrophobicContact CZ-CG2 4.27Å; P298-I301 VanDerWaalsContact O-CG1 3.25Å; P298-I301 WeakPolarHBondContact O-CG1 3.29Å; P298-I301 PolarHBondContact O-N 2.94Å
302I93.1Very high92Very high7 Ų755.7 Ų55.74%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-129.7135.7172.9-166.8161.3000110.8F252 V253 L255 V335 Y348F252-I302 CarbonylContact C-O 3.53Å; F252-I302 VanDerWaalsContact CA-O 3.26Å; F252-I302 WeakPolarHBondContact CA-O 3.46Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 3.4Å; V253-I302 PolarHBondContact O-N 3.47Å; L255-I302 HydrophobicContact CD1-CB 4.06Å; L255-I302 HydrophobicContact CD2-CB 3.83Å; L255-I302 HydrophobicContact CD2-CD1 4.1Å; L255-I302 HydrophobicContact CD2-CG2 3.68Å; L255-I302 HydrophobicContact CG-CB 3.87Å; L255-I302 HydrophobicContact CG-CG2 4.05Å; I302-V335 HydrophobicContact CB-CG2 4.48Å; I302-V335 HydrophobicContact CD1-CB 4.21Å; I302-V335 HydrophobicContact CD1-CG2 3.72Å; I302-V335 HydrophobicContact CG1-CG2 3.97Å; I302-V335 HydrophobicContact CG2-CG2 3.69Å; I302-Y348 HydrophobicContact CD1-CD1 3.71Å; I302-Y348 HydrophobicContact CD1-CE1 4.1Å; I302-Y348 HydrophobicContact CD1-CG 4.41Å; I302-Y348 HydrophobicContact CG1-CD1 4.4Å; I302-Y348 HydrophobicContact CG1-CE1 4.47Å
303R91.6Very high92.2Very high118 Ų11849.6 Ų49.645%0.44525%0.253SS..EExtended strand (participates in β ladder)trans-78.1124.1174.4-176.2168165.1179.6-6.2110.2H250 F252H250-R303 HydrophobicContact CB-CG 4.43Å; H250-R303 PolarHBondContact CD2-NE 3.02Å; H250-R303 PolarHBondContact CD2-NH2 3.32Å; H250-R303 PolarHBondContact NE2-NH2 3.4Å; F252-R303 HydrophobicContact CD1-CB 3.79Å; F252-R303 HydrophobicContact CD1-CG 4.36Å; F252-R303 HydrophobicContact CE1-CB 3.62Å; F252-R303 HydrophobicContact CE1-CG 3.96Å; F252-R303 HydrophobicContact CZ-CB 4.46Å; F252-R303 HydrophobicContact CZ-CG 4.33Å
304V92.2Very high92.3Very high0 Ų048.7 Ų48.70%025%0.247CC..EExtended strand (participates in β ladder)trans-109.1135.2176.4-165.40000108.3H250 Y251 V253 E308 V310 V335H250-V304 VanDerWaalsContact CA-O 3.3Å; H250-V304 WeakPolarHBondContact CA-O 3.33Å; Y251-V304 HydrophobicContact CD1-CB 4.27Å; Y251-V304 HydrophobicContact CD2-CB 4.26Å; Y251-V304 HydrophobicContact CD2-CG2 4.34Å; Y251-V304 HydrophobicContact CE1-CB 3.94Å; Y251-V304 HydrophobicContact CE1-CG1 3.86Å; Y251-V304 HydrophobicContact CE2-CB 3.95Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 3.97Å; Y251-V304 HydrophobicContact CG-CB 4.42Å; Y251-V304 PolarHBondContact N-O 3.23Å; Y251-V304 VanDerWaalsContact N-O 3.15Å; Y251-V304 PolarHBondContact O-N 2.84Å; V253-V304 HydrophobicContact CB-CG2 4.33Å; V253-V304 HydrophobicContact CG2-CG2 3.85Å; V304-E308 HydrophobicContact CG1-CB 3.89Å; V304-E308 VanDerWaalsContact CG1-O 3.31Å; V304-E308 WeakPolarHBondContact CG1-O 3.28Å; V304-V310 HydrophobicContact CB-CG2 4.39Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.76Å; V304-V335 HydrophobicContact CG1-CG1 4.26Å; V304-V335 HydrophobicContact CG2-CG2 3.88Å
305R89.3Confident92.3Very high134 Ų13455.4 Ų55.451%0.50627%0.272SS..EExtended strand (participates in β ladder)trans-101158.8175.5-51.5-175.1165.9133.4-8.8111.2S249 G307 E308S249-R305 CarbonylContact O-C 3.55Å; S249-R305 WeakPolarHBondContact O-CA 3.21Å; R305-G307 PolarHBondContact O-N 2.64Å; R305-E308 HydrophobicContact CB-CG 3.99Å; R305-E308 PolarHBondContact N-OE2 3.1Å; R305-E308 IonicContact NH1-OE1 2.91Å; R305-E308 WeakPolarHBondContact O-CB 3.1Å; R305-E308 PolarHBondContact O-N 2.93Å
306T83.6Confident92.4Very high111 Ų11155.8 Ų55.868%0.68128%0.284SS*.THydrogen-bonded Turntrans-48.5126.6167.1-500000110.6S249S249-T306 VanDerWaalsContact CA-OG1 3.24Å; S249-T306 WeakPolarHBondContact CA-OG1 3.46Å; S249-T306 WeakPolarHBondContact CB-OG1 3.34Å; S249-T306 PolarHBondContact O-N 2.88Å; S249-T306 PolarHBondContact O-OG1 3.04Å; S249-T306 VanDerWaalsContact O-OG1 3.07Å
307G84.2Confident92.4Very high77 Ų7757.9 Ų57.979%0.79429%0.293SS*.THydrogen-bonded Turntrans88.1-10.7-176.600000115.5R305R305-G307 PolarHBondContact O-N 2.64Å
308E90.8Very high92.5Very high31 Ų3162.2 Ų62.215%0.14532%0.318CS..  trans-88.8125.1172.6-59177.8160.900109.9V304 R305 V335 K337V304-E308 HydrophobicContact CG1-CB 3.89Å; V304-E308 VanDerWaalsContact CG1-O 3.31Å; V304-E308 WeakPolarHBondContact CG1-O 3.28Å; R305-E308 HydrophobicContact CB-CG 3.99Å; R305-E308 PolarHBondContact N-OE2 3.1Å; R305-E308 IonicContact NH1-OE1 2.91Å; R305-E308 WeakPolarHBondContact O-CB 3.1Å; R305-E308 PolarHBondContact O-N 2.93Å; E308-V335 HydrophobicContact CB-CG1 3.85Å; E308-K337 HydrophobicContact CG-CD 4.41Å; E308-K337 WeakPolarHBondContact OE1-CD 3.29Å; E308-K337 IonicContact OE1-NZ 3.27Å; E308-K337 PolarHBondContact OE1-NZ 3.17Å; E308-K337 IonicContact OE2-NZ 2.63Å; E308-K337 PolarHBondContact OE2-NZ 3.04Å
309R91.7Very high92.5Very high102 Ų10261.5 Ų61.539%0.38532%0.315SS..  trans-91.9153.8-179.8-48.1-159.1-54.3-98.78.9110.8Q336 E363R309-Q336 HydrophobicContact CB-CB 4.28Å; R309-Q336 WeakPolarHBondContact O-CB 3.46Å; R309-Q336 PolarHBondContact O-N 3.14Å; R309-E363 HydrophobicContact CB-CG 4.43Å; R309-E363 WeakPolarHBondContact CD-OE1 3.5Å; R309-E363 VanDerWaalsContact CD-OE2 3.26Å; R309-E363 WeakPolarHBondContact CD-OE2 3.37Å; R309-E363 IonicContact CZ-OE2 3.98Å; R309-E363 IonicContact NE-OE1 2.63Å; R309-E363 IonicContact NE-OE2 2.73Å; R309-E363 PolarHBondContact NE-OE2 2.91Å
310V94.2Very high92.5Very high1 Ų159.8 Ų59.81%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-120.2132.5-175.3-166.90000109.2Y251 V253 V304 I333 V335 E363 I364Y251-V310 HydrophobicContact CE2-CG2 4.48Å; V253-V310 HydrophobicContact CB-CG1 4.47Å; V253-V310 HydrophobicContact CG1-CG1 4.15Å; V253-V310 HydrophobicContact CG2-CG1 4.4Å; V253-V310 HydrophobicContact CG2-CG2 4.25Å; V304-V310 HydrophobicContact CB-CG2 4.39Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.76Å; V310-I333 HydrophobicContact CG1-CG2 3.76Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.38Å; V310-E363 WeakPolarHBondContact O-CA 3.21Å; V310-E363 WeakPolarHBondContact O-CG 3.46Å; V310-I364 HydrophobicContact CB-CG1 4.11Å; V310-I364 HydrophobicContact CG1-CD1 4.07Å; V310-I364 HydrophobicContact CG1-CG1 3.98Å; V310-I364 WeakPolarHBondContact O-CG1 3.4Å; V310-I364 PolarHBondContact O-N 2.8Å
311H95.4Very high92.4Very high13 Ų1367.5 Ų67.56%0.0633%0.333CS..EExtended strand (participates in β ladder)trans-129.9141-173-61.2-83000112.1I333 V334 Q336 L361 E362 E363H311-I333 WeakPolarHBondContact O-CA 3.44Å; H311-V334 HydrophobicContact CB-CG2 4.17Å; H311-V334 PolarHBondContact N-O 3.06Å; H311-V334 PolarHBondContact O-N 3.41Å; H311-Q336 PolarHBondContact NE2-OE1 3.35Å; H311-L361 HydrophobicContact CB-CB 4.03Å; H311-L361 HydrophobicContact CB-CD1 4.39Å; H311-L361 HydrophobicContact CB-CD2 3.92Å; H311-L361 HydrophobicContact CB-CG 4.32Å; H311-E362 CarbonylContact C-O 3.37Å; H311-E362 WeakPolarHBondContact CA-O 3.37Å; H311-E363 IonicContact CE1-OE2 3.19Å; H311-E363 PolarHBondContact CE1-OE2 3.42Å; H311-E363 IonicContact NE2-OE2 2.73Å
312R95.8Very high92.1Very high79 Ų7972.5 Ų72.530%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-90.6134.8163.4173.1169.456.4-128.14.5109T314 I333 L361 E362 I364R312-T314 PolarHBondContact O-N 3.18Å; R312-I333 HydrophobicContact CB-CD1 4Å; R312-I333 HydrophobicContact CG-CD1 4.33Å; R312-L361 WeakPolarHBondContact O-CA 3.45Å; R312-E362 IonicContact CZ-OE1 3.21Å; R312-E362 IonicContact CZ-OE2 3.84Å; R312-E362 VanDerWaalsContact CZ-OE2 3.23Å; R312-E362 PolarHBondContact N-O 3.33Å; R312-E362 IonicContact NE-OE2 2.74Å; R312-E362 PolarHBondContact NE-OE2 2.92Å; R312-E362 IonicContact NH2-OE1 3.73Å; R312-E362 PolarHBondContact NH2-OE1 3.47Å; R312-E362 IonicContact NH2-OE2 2.79Å; R312-E362 PolarHBondContact NH2-OE2 3.28Å; R312-E362 PolarHBondContact O-N 3.1Å; R312-I364 HydrophobicContact CB-CG2 4.17Å
313V96.3Very high91.9Very high0 Ų077 Ų770%038%0.38CS..EExtended strand (participates in β ladder)trans-78116.6176176.80000109.7R315 L328 K329 K330 D331 Q332 F356 F360 L361V313-R315 WeakPolarHBondContact CG1-O 3.33Å; V313-L328 HydrophobicContact CG1-CB 4.34Å; V313-L328 HydrophobicContact CG2-CB 4.04Å; V313-L328 HydrophobicContact CG2-CD1 3.63Å; V313-L328 HydrophobicContact CG2-CG 4.48Å; V313-K329 WeakPolarHBondContact CB-O 3.49Å; V313-K329 VanDerWaalsContact CG1-O 3.26Å; V313-K329 WeakPolarHBondContact CG1-O 3.4Å; V313-K330 CarbonylContact O-C 3.54Å; V313-K330 WeakPolarHBondContact O-CA 3.45Å; V313-D331 PolarHBondContact O-N 2.64Å; V313-Q332 HydrophobicContact CG2-CB 4.33Å; V313-Q332 WeakPolarHBondContact CG2-O 3.47Å; V313-Q332 PolarHBondContact N-O 2.86Å; V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.66Å; V313-F356 HydrophobicContact CG2-CE1 4.19Å; V313-F356 HydrophobicContact CG2-CZ 4.32Å; V313-F360 CarbonylContact C-O 3.59Å; V313-F360 WeakPolarHBondContact CA-O 3.44Å; V313-L361 HydrophobicContact CG2-CD2 3.87Å
314T95.9Very high91.9Very high43 Ų4373.1 Ų73.126%0.26438%0.376SS..SBendtrans-80.9-29.7-176.7630000113.1R312 K330 F360 E362R312-T314 PolarHBondContact O-N 3.18Å; T314-K330 WeakPolarHBondContact O-CD 3.14Å; T314-K330 WeakPolarHBondContact O-CG 3.47Å; T314-F360 PolarHBondContact N-O 3.41Å; T314-F360 WeakPolarHBondContact OG1-CA 3.23Å; T314-F360 PolarHBondContact OG1-O 3.45Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å; T314-E362 HydrophobicContact CG2-CG 4.5Å
315R94.4Very high92Very high142 Ų14274.2 Ų74.254%0.53638%0.381SS..SBendtrans-138.6137.2-178.9-74.8179.4-78.7-164.72110.9V313 F317 D359 F360V313-R315 WeakPolarHBondContact CG1-O 3.33Å; R315-F317 PolarHBondContact O-N 3.43Å; R315-D359 PolarHBondContact NH2-O 2.81Å; R315-F360 HydrophobicContact CB-CB 4.41Å; R315-F360 HydrophobicContact CB-CD1 3.92Å; R315-F360 HydrophobicContact CB-CG 4.2Å; R315-F360 VanDerWaalsContact NE-CD1 3.33Å
316S94.9Very high92.2Very high80 Ų8068.4 Ų68.456%0.55936%0.36SS*.  trans-65.5130174.4-59.80000110.3L328 K330S316-L328 WeakPolarHBondContact CA-O 3.18Å; S316-K330 PolarHBondContact OG-N 2.93Å
317F95Very high92.8Very high44 Ų4467 Ų6719%0.19335%0.352CS..EExtended strand (participates in β ladder)trans-137.2141.6-179168.6-101000111.2R315 T327 L328 Y344 F356 P357 F360R315-F317 PolarHBondContact O-N 3.43Å; F317-T327 VanDerWaalsContact O-CA 3.29Å; F317-T327 WeakPolarHBondContact O-CA 3.32Å; F317-L328 PolarHBondContact N-O 3.31Å; F317-L328 PolarHBondContact O-N 3.32Å; F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; F317-F356 HydrophobicContact CB-CE2 3.7Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.85Å; F317-F356 HydrophobicContact CD1-CD2 3.85Å; F317-F356 AromaticContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CZ 4.42Å; F317-F356 HydrophobicContact CG-CE2 4.14Å; F317-P357 HydrophobicContact CD1-CG 3.91Å; F317-P357 HydrophobicContact CD2-CG 4.3Å; F317-P357 VanDerWaalsContact CE1-CD 3.5Å; F317-P357 HydrophobicContact CE1-CG 3.74Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.17Å; F317-P357 HydrophobicContact CZ-CG 3.88Å; F317-F360 HydrophobicContact CB-CD2 3.69Å; F317-F360 HydrophobicContact CB-CE2 4.02Å; F317-F360 HydrophobicContact CD2-CD2 4.08Å; F317-F360 AromaticContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CE2-CE2 4.34Å; F317-F360 AromaticContact CG-CD2 3.93Å; F317-F360 HydrophobicContact CG-CD2 3.93Å; F317-F360 AromaticContact CG-CE2 3.97Å; F317-F360 HydrophobicContact CG-CE2 3.97Å
318V94.9Very high93.3Very high115 Ų11563.5 Ų63.570%0.69732%0.315SS*.EExtended strand (participates in β ladder)trans-108.183.1-177.1-173.10000109.8T327V318-T327 HydrophobicContact CB-CG2 4.42Å; V318-T327 HydrophobicContact CG1-CG2 4.34Å; V318-T327 HydrophobicContact CG2-CG2 4.18Å
319G91.6Very high93.5Very high8 Ų869 Ų698%0.08234%0.338CS..  trans-65.8143.2178.700000114.3R321G319-R321 PolarHBondContact O-N 3.33Å
320N92.1Very high93.6Very high74 Ų7469.6 Ų69.640%0.39634%0.344SS..  trans-73.8111.8171.4179.32000110.9E322 I323 Q325N320-E322 PolarHBondContact O-N 2.78Å; N320-E322 PolarHBondContact OD1-N 3.23Å; N320-I323 HydrophobicContact CB-CD1 4.14Å; N320-I323 HydrophobicContact CB-CG1 3.88Å; N320-I323 VanDerWaalsContact O-CG1 3.26Å; N320-I323 WeakPolarHBondContact O-CG1 3.33Å; N320-I323 PolarHBondContact O-N 3.03Å; N320-Q325 WeakPolarHBondContact O-CB 3.5Å; N320-Q325 PolarHBondContact O-N 3.22Å
321R90.2Very high93.6Very high222 Ų22273.9 Ų73.984%0.83837%0.366SS*.G310 helixtrans-63.1-23.9-177-169.9176.1178.3-164-2.9114.4G319 G324 Q325G319-R321 PolarHBondContact O-N 3.33Å; R321-G324 PolarHBondContact O-N 3.31Å; R321-G324 VanDerWaalsContact O-N 3.12Å; R321-Q325 WeakPolarHBondContact CA-O 3.34Å
322E87.3Confident93.6Very high122 Ų12276.2 Ų76.257%0.5738%0.377SS*.G310 helixtrans-71.6-39.3-177.1-59.8-171.9132.600112.4Y157 N320 G324Y157-E322 WeakPolarHBondContact CE2-OE1 3.32Å; Y157-E322 WeakPolarHBondContact CE2-OE2 3.46Å; Y157-E322 VanDerWaalsContact CZ-OE2 3.3Å; Y157-E322 PolarHBondContact OH-OE1 2.79Å; Y157-E322 PolarHBondContact OH-OE2 3.39Å; N320-E322 PolarHBondContact O-N 2.78Å; N320-E322 PolarHBondContact OD1-N 3.23Å; E322-G324 PolarHBondContact O-N 3.41Å
323I89.3Confident93.5Very high102 Ų10272.8 Ų72.852%0.52337%0.365SS..G310 helixtrans-83.819.5169.458.1172.6000112N320 Q325N320-I323 HydrophobicContact CB-CD1 4.14Å; N320-I323 HydrophobicContact CB-CG1 3.88Å; N320-I323 VanDerWaalsContact O-CG1 3.26Å; N320-I323 WeakPolarHBondContact O-CG1 3.33Å; N320-I323 PolarHBondContact O-N 3.03Å; I323-Q325 VanDerWaalsContact C-N 3.29Å; I323-Q325 HydrophobicContact CD1-CG 4.14Å; I323-Q325 HydrophobicContact CG1-CG 4.03Å; I323-Q325 PolarHBondContact O-N 3.26Å
324G90.4Very high93.5Very high36 Ų3672.8 Ų72.837%0.37137%0.365SS..THydrogen-bonded Turntrans73.58.2175.600000115.9R321 E322 G354 L355R321-G324 PolarHBondContact O-N 3.31Å; R321-G324 VanDerWaalsContact O-N 3.12Å; E322-G324 PolarHBondContact O-N 3.41Å; G324-G354 CarbonylContact O-C 3.59Å; G324-G354 WeakPolarHBondContact O-CA 3.31Å; G324-L355 PolarHBondContact O-N 3.15Å
325Q94.3Very high93.5Very high23 Ų2370.7 Ų70.711%0.10735%0.352CS..BIsolated β-bridgetrans-74.1160.1176.6-62.5171.7-8.200112.3N320 R321 I323 Y344 L355N320-Q325 WeakPolarHBondContact O-CB 3.5Å; N320-Q325 PolarHBondContact O-N 3.22Å; R321-Q325 WeakPolarHBondContact CA-O 3.34Å; I323-Q325 VanDerWaalsContact C-N 3.29Å; I323-Q325 HydrophobicContact CD1-CG 4.14Å; I323-Q325 HydrophobicContact CG1-CG 4.03Å; I323-Q325 PolarHBondContact O-N 3.26Å; Q325-Y344 HydrophobicContact CG-CD1 4.27Å; Q325-Y344 HydrophobicContact CG-CE1 4.07Å; Q325-Y344 PolarHBondContact NE2-OH 3.22Å; Q325-L355 CarbonylContact C-O 3.48Å; Q325-L355 WeakPolarHBondContact CA-O 3.29Å; Q325-L355 WeakPolarHBondContact CB-O 3.11Å; Q325-L355 HydrophobicContact CG-CB 4.05Å
326I94.7Very high93.5Very high12 Ų1264.4 Ų64.46%0.06233%0.329CS..  trans-120.1139.3-179.6-174.9165.4000112.3L328 V347 T349 K352 L355 F356I326-L328 HydrophobicContact CD1-CD2 3.88Å; I326-L328 HydrophobicContact CG1-CD2 3.89Å; I326-L328 HydrophobicContact CG1-CG 4.4Å; I326-L328 HydrophobicContact CG2-CD1 4.38Å; I326-L328 HydrophobicContact CG2-CD2 4.32Å; I326-L328 HydrophobicContact CG2-CG 4.14Å; I326-V347 HydrophobicContact CG2-CG2 3.92Å; I326-T349 HydrophobicContact CD1-CG2 3.95Å; I326-K352 HydrophobicContact CD1-CB 3.58Å; I326-K352 HydrophobicContact CD1-CD 4.27Å; I326-L355 PolarHBondContact N-O 3.05Å; I326-F356 HydrophobicContact CG2-CB 4.19Å; I326-F356 HydrophobicContact CG2-CD2 4.18Å; I326-F356 WeakPolarHBondContact O-CD2 3.08Å
327T94.9Very high93.3Very high81 Ų8163.1 Ų63.150%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-77.4119.9166.3-50.80000110.4F317 V318F317-T327 VanDerWaalsContact O-CA 3.29Å; F317-T327 WeakPolarHBondContact O-CA 3.32Å; V318-T327 HydrophobicContact CB-CG2 4.42Å; V318-T327 HydrophobicContact CG1-CG2 4.34Å; V318-T327 HydrophobicContact CG2-CG2 4.18Å
328L95.3Very high93Very high4 Ų463 Ų632%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-124.7154.1171.4-53.5177.9000110.6V313 S316 F317 I326 V334 V347 T349 F356V313-L328 HydrophobicContact CG1-CB 4.34Å; V313-L328 HydrophobicContact CG2-CB 4.04Å; V313-L328 HydrophobicContact CG2-CD1 3.63Å; V313-L328 HydrophobicContact CG2-CG 4.48Å; S316-L328 WeakPolarHBondContact CA-O 3.18Å; F317-L328 PolarHBondContact N-O 3.31Å; F317-L328 PolarHBondContact O-N 3.32Å; I326-L328 HydrophobicContact CD1-CD2 3.88Å; I326-L328 HydrophobicContact CG1-CD2 3.89Å; I326-L328 HydrophobicContact CG1-CG 4.4Å; I326-L328 HydrophobicContact CG2-CD1 4.38Å; I326-L328 HydrophobicContact CG2-CD2 4.32Å; I326-L328 HydrophobicContact CG2-CG 4.14Å; L328-V334 HydrophobicContact CD1-CG1 3.75Å; L328-V334 HydrophobicContact CD2-CG1 4.35Å; L328-V347 HydrophobicContact CD1-CG2 4.09Å; L328-T349 HydrophobicContact CD2-CG2 3.38Å; L328-F356 HydrophobicContact CB-CD2 4.16Å; L328-F356 HydrophobicContact CB-CE2 3.51Å; L328-F356 HydrophobicContact CB-CZ 3.91Å; L328-F356 HydrophobicContact CD1-CB 4.45Å; L328-F356 HydrophobicContact CD1-CD1 4.12Å; L328-F356 HydrophobicContact CD1-CD2 3.54Å; L328-F356 HydrophobicContact CD1-CE1 4.21Å; L328-F356 HydrophobicContact CD1-CE2 3.67Å; L328-F356 HydrophobicContact CD1-CG 3.78Å; L328-F356 HydrophobicContact CD1-CZ 4.01Å; L328-F356 HydrophobicContact CG-CD2 3.72Å; L328-F356 HydrophobicContact CG-CE2 3.62Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.28Å
329K94.9Very high92.7Very high146 Ų14663.7 Ų63.764%0.63532%0.324SS*.  trans-97154.7170.8-63.4-172176.6-170.10110.2V313 Q332V313-K329 WeakPolarHBondContact CB-O 3.49Å; V313-K329 VanDerWaalsContact CG1-O 3.26Å; V313-K329 WeakPolarHBondContact CG1-O 3.4Å; K329-Q332 HydrophobicContact CB-CG 4.08Å; K329-Q332 WeakPolarHBondContact O-CB 3.14Å; K329-Q332 WeakPolarHBondContact O-CG 3.45Å; K329-Q332 PolarHBondContact O-N 2.97Å
330K94.6Very high92.7Very high115 Ų11567.9 Ų67.950%0.534%0.342SS..THydrogen-bonded Turntrans-48.6147.5163.8-177.3-178.8174-167.70111.1V313 T314 S316 Q332V313-K330 CarbonylContact O-C 3.54Å; V313-K330 WeakPolarHBondContact O-CA 3.45Å; T314-K330 WeakPolarHBondContact O-CD 3.14Å; T314-K330 WeakPolarHBondContact O-CG 3.47Å; S316-K330 PolarHBondContact OG-N 2.93Å; K330-Q332 PolarHBondContact O-N 2.87Å
331D93.6Very high92.7Very high91 Ų9170 Ų7049%0.48736%0.357SS..THydrogen-bonded Turntrans64.610.8178.5-51.4-45.1000114.5V313V313-D331 PolarHBondContact O-N 2.64Å
332Q94.6Very high92.5Very high62 Ų6263 Ų6329%0.2936%0.355SS..  trans-78.9143.2166.8-65.7-165.8-59.300111.2V313 K329 K330V313-Q332 HydrophobicContact CG2-CB 4.33Å; V313-Q332 WeakPolarHBondContact CG2-O 3.47Å; V313-Q332 PolarHBondContact N-O 2.86Å; K329-Q332 HydrophobicContact CB-CG 4.08Å; K329-Q332 WeakPolarHBondContact O-CB 3.14Å; K329-Q332 WeakPolarHBondContact O-CG 3.45Å; K329-Q332 PolarHBondContact O-N 2.97Å; K330-Q332 PolarHBondContact O-N 2.87Å
333I95.3Very high92.7Very high6 Ų658.5 Ų58.53%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-97.9136.5176.1-50.1-57.2000109.8V253 L255 P270 V310 H311 R312 I364V253-I333 HydrophobicContact CG1-CG2 4.1Å; L255-I333 HydrophobicContact CD2-CB 4.25Å; L255-I333 WeakPolarHBondContact CD2-O 3.4Å; P270-I333 HydrophobicContact CB-CD1 4.32Å; P270-I333 HydrophobicContact CB-CG1 3.83Å; V310-I333 HydrophobicContact CG1-CG2 3.76Å; H311-I333 WeakPolarHBondContact O-CA 3.44Å; R312-I333 HydrophobicContact CB-CD1 4Å; R312-I333 HydrophobicContact CG-CD1 4.33Å; I333-I364 HydrophobicContact CD1-CD1 3.91Å; I333-I364 HydrophobicContact CG2-CD1 4.18Å
334V95.3Very high92.9Very high0 Ų057.2 Ų57.20%033%0.33CS..EExtended strand (participates in β ladder)trans-140.1152.8177.8-63.50000112H311 L328 V347 Y348 T349 L361H311-V334 HydrophobicContact CB-CG2 4.17Å; H311-V334 PolarHBondContact N-O 3.06Å; H311-V334 PolarHBondContact O-N 3.41Å; L328-V334 HydrophobicContact CD1-CG1 3.75Å; L328-V334 HydrophobicContact CD2-CG1 4.35Å; V334-V347 HydrophobicContact CB-CB 4.01Å; V334-V347 HydrophobicContact CB-CG2 4.47Å; V334-V347 HydrophobicContact CG2-CB 3.87Å; V334-V347 HydrophobicContact CG2-CG1 3.96Å; V334-V347 HydrophobicContact CG2-CG2 4.35Å; V334-Y348 WeakPolarHBondContact CA-O 3.5Å; V334-T349 HydrophobicContact CG1-CG2 3.63Å; V334-L361 HydrophobicContact CG2-CD2 3.95Å
335V95.1Very high93.2Very high0 Ų055.5 Ų55.50%031%0.312CS..EExtended strand (participates in β ladder)trans-105.5127.6176.31770000109.5I302 V304 E308 V310 K337 V347 Y348I302-V335 HydrophobicContact CB-CG2 4.48Å; I302-V335 HydrophobicContact CD1-CB 4.21Å; I302-V335 HydrophobicContact CD1-CG2 3.72Å; I302-V335 HydrophobicContact CG1-CG2 3.97Å; I302-V335 HydrophobicContact CG2-CG2 3.69Å; V304-V335 HydrophobicContact CG1-CG1 4.26Å; V304-V335 HydrophobicContact CG2-CG2 3.88Å; E308-V335 HydrophobicContact CB-CG1 3.85Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.38Å; V335-K337 HydrophobicContact CG1-CD 4.2Å; V335-V347 CarbonylContact O-C 3.58Å; V335-V347 WeakPolarHBondContact O-CA 3.07Å; V335-Y348 PolarHBondContact N-O 3.48Å; V335-Y348 PolarHBondContact O-N 2.85Å
336Q94.8Very high93.2Very high9 Ų959.5 Ų59.54%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-67.8134.7173.3173168.3-1.800110.8R309 H311 G338 V345R309-Q336 HydrophobicContact CB-CB 4.28Å; R309-Q336 WeakPolarHBondContact O-CB 3.46Å; R309-Q336 PolarHBondContact O-N 3.14Å; H311-Q336 PolarHBondContact NE2-OE1 3.35Å; Q336-G338 WeakPolarHBondContact CG-O 3.43Å; Q336-G338 PolarHBondContact NE2-O 2.93Å; Q336-V345 HydrophobicContact CG-CG2 3.63Å
337K91.6Very high93.3Very high53 Ų5358.9 Ų58.923%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-131.370.5-176.2-61.8-61.4-171.2-176.80110.5E308 V335 K346E308-K337 HydrophobicContact CG-CD 4.41Å; E308-K337 WeakPolarHBondContact OE1-CD 3.29Å; E308-K337 IonicContact OE1-NZ 3.27Å; E308-K337 PolarHBondContact OE1-NZ 3.17Å; E308-K337 IonicContact OE2-NZ 2.63Å; E308-K337 PolarHBondContact OE2-NZ 3.04Å; V335-K337 HydrophobicContact CG1-CD 4.2Å; K337-K346 PolarHBondContact N-O 2.95Å
338G87.6Confident93.2Very high42 Ų4258.7 Ų58.743%0.43332%0.317SS..EExtended strand (participates in β ladder)trans111.7176.1-17500000112.4Q336Q336-G338 WeakPolarHBondContact CG-O 3.43Å; Q336-G338 PolarHBondContact NE2-O 2.93Å
339D89.9Confident93.1Very high129 Ų12959.5 Ų59.569%0.6932%0.322SS*.EExtended strand (participates in β ladder)trans-77.7171.2-171.6-54.3-74.7000113.8
340E91.9Very high92.7Very high97 Ų9753.8 Ų53.845%0.45330%0.304SS..EExtended strand (participates in β ladder)trans-81.1135.7174.3178.6174.6-17100110.8G343 T358E340-G343 WeakPolarHBondContact OE1-CA 3.02Å; E340-T358 HydrophobicContact CB-CG2 4.47Å; E340-T358 VanDerWaalsContact CD-CG2 3.43Å; E340-T358 HydrophobicContact CG-CG2 3.91Å; E340-T358 WeakPolarHBondContact OE1-CB 3.47Å; E340-T358 WeakPolarHBondContact OE1-CG2 3.35Å; E340-T358 PolarHBondContact OE1-OG1 2.76Å
341V91.1Very high92.4Very high117 Ų11756.1 Ų56.171%0.70931%0.31SS*.EExtended strand (participates in β ladder)trans-135.8109.5177.9-176.10000108.6Y344V341-Y344 PolarHBondContact N-O 3.3Å; V341-Y344 PolarHBondContact O-N 2.61Å
342G86.7Confident92.3Very high77 Ų7758.6 Ų58.679%0.79432%0.317SS*.THydrogen-bonded Turntrans64.640.4174.400000114.9Y344G342-Y344 WeakPolarHBondContact O-CD2 3.28Å; G342-Y344 PolarHBondContact O-N 2.69Å
343G90.9Very high92.3Very high27 Ų2759.4 Ų59.428%0.27833%0.326SS..THydrogen-bonded Turntrans77.74.2-177.900000114.6E340 P357 T358E340-G343 WeakPolarHBondContact OE1-CA 3.02Å; G343-P357 WeakPolarHBondContact O-CA 3.24Å; G343-T358 PolarHBondContact O-N 2.9Å; G343-T358 PolarHBondContact O-OG1 3.32Å
344Y94.3Very high92.2Very high74 Ų7459.5 Ų59.529%0.2933%0.327SS..EExtended strand (participates in β ladder)trans-119.1138.4174.9-71.7-94.4000110.8F317 Q325 V341 G342 L355 F356 P357F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; Q325-Y344 HydrophobicContact CG-CD1 4.27Å; Q325-Y344 HydrophobicContact CG-CE1 4.07Å; Q325-Y344 PolarHBondContact NE2-OH 3.22Å; V341-Y344 PolarHBondContact N-O 3.3Å; V341-Y344 PolarHBondContact O-N 2.61Å; G342-Y344 WeakPolarHBondContact O-CD2 3.28Å; G342-Y344 PolarHBondContact O-N 2.69Å; Y344-L355 HydrophobicContact CD1-CB 4.32Å; Y344-F356 WeakPolarHBondContact CA-O 3.46Å; Y344-P357 HydrophobicContact CD1-CG 4.18Å; Y344-P357 HydrophobicContact CE1-CB 4.41Å; Y344-P357 HydrophobicContact CE1-CG 3.61Å
345V95.5Very high92.2Very high1 Ų162.4 Ų62.41%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-121.9146.3174.667.20000110.6Q336 V347 L355 F356 T358 L361Q336-V345 HydrophobicContact CG-CG2 3.63Å; V345-V347 HydrophobicContact CG1-CG1 3.89Å; V345-V347 PolarHBondContact O-N 3.47Å; V345-L355 WeakPolarHBondContact O-CA 3.29Å; V345-F356 PolarHBondContact N-O 2.91Å; V345-F356 PolarHBondContact O-N 2.87Å; V345-T358 HydrophobicContact CB-CG2 3.78Å; V345-T358 HydrophobicContact CG1-CG2 3.57Å; V345-L361 HydrophobicContact CG1-CD1 3.42Å; V345-L361 VanDerWaalsContact CG1-CD1 3.42Å
346K95.1Very high92.3Very high106 Ų10662.4 Ų62.446%0.46134%0.343SS..EExtended strand (participates in β ladder)trans-81.9115.9179.8-170.8173.8-178.3177.80110K337 V353 L355K337-K346 PolarHBondContact N-O 2.95Å; K346-V353 HydrophobicContact CD-CG1 4.43Å; K346-V353 HydrophobicContact CG-CG1 3.94Å; K346-L355 HydrophobicContact CB-CD2 4.06Å
347V95.3Very high92.3Very high0 Ų062.3 Ų62.30%034%0.343CS..EExtended strand (participates in β ladder)trans-118.5154-174.8-59.40000112.6I326 L328 V334 V335 V345 V353 G354 F356 L361I326-V347 HydrophobicContact CG2-CG2 3.92Å; L328-V347 HydrophobicContact CD1-CG2 4.09Å; V334-V347 HydrophobicContact CB-CB 4.01Å; V334-V347 HydrophobicContact CB-CG2 4.47Å; V334-V347 HydrophobicContact CG2-CB 3.87Å; V334-V347 HydrophobicContact CG2-CG1 3.96Å; V334-V347 HydrophobicContact CG2-CG2 4.35Å; V335-V347 CarbonylContact O-C 3.58Å; V335-V347 WeakPolarHBondContact O-CA 3.07Å; V345-V347 HydrophobicContact CG1-CG1 3.89Å; V345-V347 PolarHBondContact O-N 3.47Å; V347-V353 WeakPolarHBondContact O-CA 3.31Å; V347-G354 PolarHBondContact N-O 2.95Å; V347-G354 PolarHBondContact O-N 2.91Å; V347-G354 VanDerWaalsContact O-N 3.09Å; V347-F356 HydrophobicContact CG1-CB 4.36Å; V347-F356 HydrophobicContact CG2-CB 3.69Å; V347-F356 HydrophobicContact CG2-CG 4.48Å; V347-L361 HydrophobicContact CG1-CD1 3.97Å
348Y94.5Very high92.5Very high76 Ų7661.4 Ų61.430%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-126.6127.6179.5-178.4-133000111.7I302 V334 V335 G350 K352 V353I302-Y348 HydrophobicContact CD1-CD1 3.71Å; I302-Y348 HydrophobicContact CD1-CE1 4.1Å; I302-Y348 HydrophobicContact CD1-CG 4.41Å; I302-Y348 HydrophobicContact CG1-CD1 4.4Å; I302-Y348 HydrophobicContact CG1-CE1 4.47Å; V334-Y348 WeakPolarHBondContact CA-O 3.5Å; V335-Y348 PolarHBondContact N-O 3.48Å; V335-Y348 PolarHBondContact O-N 2.85Å; Y348-G350 VanDerWaalsContact CZ-CA 3.46Å; Y348-G350 PolarHBondContact OH-O 2.91Å; Y348-G350 VanDerWaalsContact OH-O 3.1Å; Y348-K352 WeakPolarHBondContact CD2-O 3.46Å; Y348-V353 HydrophobicContact CD2-CG2 3.4Å; Y348-V353 HydrophobicContact CE2-CG2 3.99Å; Y348-V353 HydrophobicContact CG-CG2 4.15Å
349T92.3Very high92.8Very high21 Ų2165 Ų6513%0.12935%0.351CS..  trans-97.811.8-177.655.60000113.6I326 L328 V334 R351 K352I326-T349 HydrophobicContact CD1-CG2 3.95Å; L328-T349 HydrophobicContact CD2-CG2 3.38Å; V334-T349 HydrophobicContact CG1-CG2 3.63Å; T349-R351 PolarHBondContact O-N 3Å; T349-K352 PolarHBondContact N-O 3.02Å; T349-K352 WeakPolarHBondContact OG1-CA 3.36Å; T349-K352 PolarHBondContact OG1-N 2.93Å; T349-K352 PolarHBondContact OG1-O 3.01Å
350G87.4Confident93.1Very high26 Ų2661 Ų6127%0.26833%0.328SS..SBendtrans75.2-16.8-169.100000114.2Y348Y348-G350 VanDerWaalsContact CZ-CA 3.46Å; Y348-G350 PolarHBondContact OH-O 2.91Å; Y348-G350 VanDerWaalsContact OH-O 3.1Å
351R88.4Confident93.3Very high165 Ų16557.5 Ų57.562%0.62331%0.312SS*.SBendtrans-128.2-22179.3-55.5-175.4-170.2-175.13.9114.3T349T349-R351 PolarHBondContact O-N 3Å
352K91Very high93.5Very high143 Ų14355.9 Ų55.962%0.62230%0.297SS*.  trans-145.8141.6-177.5-58.3177.4-174.9174.20110.4I326 Y348 T349I326-K352 HydrophobicContact CD1-CB 3.58Å; I326-K352 HydrophobicContact CD1-CD 4.27Å; Y348-K352 WeakPolarHBondContact CD2-O 3.46Å; T349-K352 PolarHBondContact N-O 3.02Å; T349-K352 WeakPolarHBondContact OG1-CA 3.36Å; T349-K352 PolarHBondContact OG1-N 2.93Å; T349-K352 PolarHBondContact OG1-O 3.01Å
353V93.4Very high93.8Very high79 Ų7957.5 Ų57.548%0.47928%0.283SS..EExtended strand (participates in β ladder)trans-106.9145.4169.7-179.60000108.7K346 V347 Y348K346-V353 HydrophobicContact CD-CG1 4.43Å; K346-V353 HydrophobicContact CG-CG1 3.94Å; V347-V353 WeakPolarHBondContact O-CA 3.31Å; Y348-V353 HydrophobicContact CD2-CG2 3.4Å; Y348-V353 HydrophobicContact CE2-CG2 3.99Å; Y348-V353 HydrophobicContact CG-CG2 4.15Å
354G94.3Very high93.8Very high7 Ų759.2 Ų59.27%0.07229%0.286CS..EExtended strand (participates in β ladder)trans-175.1176.1168.100000112.7G324 V347G324-G354 CarbonylContact O-C 3.59Å; G324-G354 WeakPolarHBondContact O-CA 3.31Å; V347-G354 PolarHBondContact N-O 2.95Å; V347-G354 PolarHBondContact O-N 2.91Å; V347-G354 VanDerWaalsContact O-N 3.09Å
355L95Very high93.8Very high62 Ų6258.5 Ų58.533%0.32529%0.285SS..EExtended strand (participates in β ladder)trans-80.8140173.2-64.5175.5000111G324 Q325 I326 Y344 V345 K346G324-L355 PolarHBondContact O-N 3.15Å; Q325-L355 CarbonylContact C-O 3.48Å; Q325-L355 WeakPolarHBondContact CA-O 3.29Å; Q325-L355 WeakPolarHBondContact CB-O 3.11Å; Q325-L355 HydrophobicContact CG-CB 4.05Å; I326-L355 PolarHBondContact N-O 3.05Å; Y344-L355 HydrophobicContact CD1-CB 4.32Å; V345-L355 WeakPolarHBondContact O-CA 3.29Å; K346-L355 HydrophobicContact CB-CD2 4.06Å
356F96.3Very high93.7Very high0 Ų061.5 Ų61.50%030%0.3CS..EExtended strand (participates in β ladder)trans-143.4143.7179.5-165-99.6000110.6V313 F317 I326 L328 Y344 V345 V347 F360 L361V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.66Å; V313-F356 HydrophobicContact CG2-CE1 4.19Å; V313-F356 HydrophobicContact CG2-CZ 4.32Å; F317-F356 HydrophobicContact CB-CE2 3.7Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.85Å; F317-F356 HydrophobicContact CD1-CD2 3.85Å; F317-F356 AromaticContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CZ 4.42Å; F317-F356 HydrophobicContact CG-CE2 4.14Å; I326-F356 HydrophobicContact CG2-CB 4.19Å; I326-F356 HydrophobicContact CG2-CD2 4.18Å; I326-F356 WeakPolarHBondContact O-CD2 3.08Å; L328-F356 HydrophobicContact CB-CD2 4.16Å; L328-F356 HydrophobicContact CB-CE2 3.51Å; L328-F356 HydrophobicContact CB-CZ 3.91Å; L328-F356 HydrophobicContact CD1-CB 4.45Å; L328-F356 HydrophobicContact CD1-CD1 4.12Å; L328-F356 HydrophobicContact CD1-CD2 3.54Å; L328-F356 HydrophobicContact CD1-CE1 4.21Å; L328-F356 HydrophobicContact CD1-CE2 3.67Å; L328-F356 HydrophobicContact CD1-CG 3.78Å; L328-F356 HydrophobicContact CD1-CZ 4.01Å; L328-F356 HydrophobicContact CG-CD2 3.72Å; L328-F356 HydrophobicContact CG-CE2 3.62Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.28Å; Y344-F356 WeakPolarHBondContact CA-O 3.46Å; V345-F356 PolarHBondContact N-O 2.91Å; V345-F356 PolarHBondContact O-N 2.87Å; V347-F356 HydrophobicContact CG1-CB 4.36Å; V347-F356 HydrophobicContact CG2-CB 3.69Å; V347-F356 HydrophobicContact CG2-CG 4.48Å; F356-F360 HydrophobicContact CE1-CB 3.6Å; F356-F360 HydrophobicContact CZ-CB 4.04Å; F356-L361 HydrophobicContact CD1-CD1 4.1Å; F356-L361 HydrophobicContact CD1-CD2 3.62Å; F356-L361 HydrophobicContact CD1-CG 3.74Å; F356-L361 HydrophobicContact CE1-CD2 3.74Å; F356-L361 HydrophobicContact CE1-CG 4.07Å
357P95.4Very high93.6Very high6 Ų659 Ų594%0.03929%0.291CS..EExtended strand (participates in β ladder)trans-62.5137.3-179.8-22.333.1000112.4F317 G343 Y344 F360F317-P357 HydrophobicContact CD1-CG 3.91Å; F317-P357 HydrophobicContact CD2-CG 4.3Å; F317-P357 VanDerWaalsContact CE1-CD 3.5Å; F317-P357 HydrophobicContact CE1-CG 3.74Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.17Å; F317-P357 HydrophobicContact CZ-CG 3.88Å; G343-P357 WeakPolarHBondContact O-CA 3.24Å; Y344-P357 HydrophobicContact CD1-CG 4.18Å; Y344-P357 HydrophobicContact CE1-CB 4.41Å; Y344-P357 HydrophobicContact CE1-CG 3.61Å; P357-F360 HydrophobicContact CB-CD2 3.67Å; P357-F360 HydrophobicContact CB-CE2 4.03Å; P357-F360 HydrophobicContact CB-CG 4.27Å; P357-F360 HydrophobicContact CG-CD2 3.64Å; P357-F360 HydrophobicContact CG-CE2 3.85Å; P357-F360 PolarHBondContact O-N 3.24Å
358T95.1Very high93.5Very high34 Ų3462.5 Ų62.521%0.20931%0.308CS..G310 helixtrans-69.4-32.1175.140.10000112.5E340 G343 V345 F360 L361E340-T358 HydrophobicContact CB-CG2 4.47Å; E340-T358 VanDerWaalsContact CD-CG2 3.43Å; E340-T358 HydrophobicContact CG-CG2 3.91Å; E340-T358 WeakPolarHBondContact OE1-CB 3.47Å; E340-T358 WeakPolarHBondContact OE1-CG2 3.35Å; E340-T358 PolarHBondContact OE1-OG1 2.76Å; G343-T358 PolarHBondContact O-N 2.9Å; G343-T358 PolarHBondContact O-OG1 3.32Å; V345-T358 HydrophobicContact CB-CG2 3.78Å; V345-T358 HydrophobicContact CG1-CG2 3.57Å; T358-F360 PolarHBondContact O-N 2.9Å; T358-L361 PolarHBondContact O-N 3.35Å
359D95Very high93.5Very high117 Ų11761.6 Ų61.663%0.62631%0.309SS*.G310 helixtrans-55.6-15.2172.6-64.3-39.7000115.4R315R315-D359 PolarHBondContact NH2-O 2.81Å
360F95.9Very high93.5Very high46 Ų4664.3 Ų64.320%0.20232%0.321CS..G310 helixtrans-114.414.3-178.4-54.9-29.4000112.7V313 T314 R315 F317 F356 P357 T358V313-F360 CarbonylContact C-O 3.59Å; V313-F360 WeakPolarHBondContact CA-O 3.44Å; T314-F360 PolarHBondContact N-O 3.41Å; T314-F360 WeakPolarHBondContact OG1-CA 3.23Å; T314-F360 PolarHBondContact OG1-O 3.45Å; R315-F360 HydrophobicContact CB-CB 4.41Å; R315-F360 HydrophobicContact CB-CD1 3.92Å; R315-F360 HydrophobicContact CB-CG 4.2Å; R315-F360 VanDerWaalsContact NE-CD1 3.33Å; F317-F360 HydrophobicContact CB-CD2 3.69Å; F317-F360 HydrophobicContact CB-CE2 4.02Å; F317-F360 HydrophobicContact CD2-CD2 4.08Å; F317-F360 AromaticContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CE2-CE2 4.34Å; F317-F360 AromaticContact CG-CD2 3.93Å; F317-F360 HydrophobicContact CG-CD2 3.93Å; F317-F360 AromaticContact CG-CE2 3.97Å; F317-F360 HydrophobicContact CG-CE2 3.97Å; F356-F360 HydrophobicContact CE1-CB 3.6Å; F356-F360 HydrophobicContact CZ-CB 4.04Å; P357-F360 HydrophobicContact CB-CD2 3.67Å; P357-F360 HydrophobicContact CB-CE2 4.03Å; P357-F360 HydrophobicContact CB-CG 4.27Å; P357-F360 HydrophobicContact CG-CD2 3.64Å; P357-F360 HydrophobicContact CG-CE2 3.85Å; P357-F360 PolarHBondContact O-N 3.24Å; T358-F360 PolarHBondContact O-N 2.9Å
361L95.4Very high94Very high24 Ų2467.1 Ų67.113%0.12633%0.325CS..EExtended strand (participates in β ladder)trans-120.4151177.6-64.6176.5000111.7H311 R312 V313 V334 V345 V347 F356 T358H311-L361 HydrophobicContact CB-CB 4.03Å; H311-L361 HydrophobicContact CB-CD1 4.39Å; H311-L361 HydrophobicContact CB-CD2 3.92Å; H311-L361 HydrophobicContact CB-CG 4.32Å; R312-L361 WeakPolarHBondContact O-CA 3.45Å; V313-L361 HydrophobicContact CG2-CD2 3.87Å; V334-L361 HydrophobicContact CG2-CD2 3.95Å; V345-L361 HydrophobicContact CG1-CD1 3.42Å; V345-L361 VanDerWaalsContact CG1-CD1 3.42Å; V347-L361 HydrophobicContact CG1-CD1 3.97Å; F356-L361 HydrophobicContact CD1-CD1 4.1Å; F356-L361 HydrophobicContact CD1-CD2 3.62Å; F356-L361 HydrophobicContact CD1-CG 3.74Å; F356-L361 HydrophobicContact CE1-CD2 3.74Å; F356-L361 HydrophobicContact CE1-CG 4.07Å; T358-L361 PolarHBondContact O-N 3.35Å
362E95.5Very high94.4Very high83 Ų8359.5 Ų59.539%0.38830%0.302SS..EExtended strand (participates in β ladder)trans-139.2123.5178.3175.1-169.4-168.600108H311 R312 T314H311-E362 CarbonylContact C-O 3.37Å; H311-E362 WeakPolarHBondContact CA-O 3.37Å; R312-E362 IonicContact CZ-OE1 3.21Å; R312-E362 IonicContact CZ-OE2 3.84Å; R312-E362 VanDerWaalsContact CZ-OE2 3.23Å; R312-E362 PolarHBondContact N-O 3.33Å; R312-E362 IonicContact NE-OE2 2.74Å; R312-E362 PolarHBondContact NE-OE2 2.92Å; R312-E362 IonicContact NH2-OE1 3.73Å; R312-E362 PolarHBondContact NH2-OE1 3.47Å; R312-E362 IonicContact NH2-OE2 2.79Å; R312-E362 PolarHBondContact NH2-OE2 3.28Å; R312-E362 PolarHBondContact O-N 3.1Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å; T314-E362 HydrophobicContact CG2-CG 4.5Å
363E93.8Very high94.7Very high110 Ų11052.6 Ų52.651%0.51428%0.275SS..EExtended strand (participates in β ladder)trans-77.8144.4-174.5-159.1166.7129.300112.3R309 V310 H311R309-E363 HydrophobicContact CB-CG 4.43Å; R309-E363 WeakPolarHBondContact CD-OE1 3.5Å; R309-E363 VanDerWaalsContact CD-OE2 3.26Å; R309-E363 WeakPolarHBondContact CD-OE2 3.37Å; R309-E363 IonicContact CZ-OE2 3.98Å; R309-E363 IonicContact NE-OE1 2.63Å; R309-E363 IonicContact NE-OE2 2.73Å; R309-E363 PolarHBondContact NE-OE2 2.91Å; V310-E363 WeakPolarHBondContact O-CA 3.21Å; V310-E363 WeakPolarHBondContact O-CG 3.46Å; H311-E363 IonicContact CE1-OE2 3.19Å; H311-E363 PolarHBondContact CE1-OE2 3.42Å; H311-E363 IonicContact NE2-OE2 2.73Å
364I91.1Very high94.8Very high63 Ų6350.2 Ų50.232%0.32326%0.257SS..  trans-137.80-170.459.6166.9000116.1K273 V310 R312 I333K273-I364 PolarHBondContact NZ-O 3.37Å; K273-I364 PolarHBondContact NZ-OXT 3.46Å; V310-I364 HydrophobicContact CB-CG1 4.11Å; V310-I364 HydrophobicContact CG1-CD1 4.07Å; V310-I364 HydrophobicContact CG1-CG1 3.98Å; V310-I364 WeakPolarHBondContact O-CG1 3.4Å; V310-I364 PolarHBondContact O-N 2.8Å; R312-I364 HydrophobicContact CB-CG2 4.17Å; I333-I364 HydrophobicContact CD1-CD1 3.91Å; I333-I364 HydrophobicContact CG2-CD1 4.18Å

Retrieved 364 of 364 residues in 101.5 ms (Link to these results)